4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride

C75H59Cl5N12O3S4 — CID 157435210

About 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride

4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride (PubChem CID 157435210) has the molecular formula C75H59Cl5N12O3S4 and a molecular weight of 1481.91 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride.

Molecular Properties

• Compound Name: 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride
• PubChem CID: 157435210
• Molecular Formula: C75H59Cl5N12O3S4
• Molecular Weight: 1481.91 g/mol
• Exact Mass: 1478.22
• IUPAC Name: 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride
• SMILES: C=CCCC(=O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.C=CCn1ccnc1-c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.Cl.Clc1ccc(Cc2nc(-c3ccncc3)sc2-c2ncc[nH]2)cc1.O=C(O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C21H17ClN4S.C20H17ClN2OS.C18H13ClN4S.C16H11ClN2O2S.ClH/c1-2-12-26-13-11-24-20(26)19-18(14-15-3-5-17(22)6-4-15)25-21(27-19)16-7-9-23-10-8-16;1-2-3-4-18(24)19-17(13-14-5-7-16(21)8-6-14)23-20(25-19)15-9-11-22-12-10-15;19-14-3-1-12(2-4-14)11-15-16(17-21-9-10-22-17)24-18(23-15)13-5-7-20-8-6-13;17-12-3-1-10(2-4-12)9-13-14(16(20)21)22-15(19-13)11-5-7-18-8-6-11;/h2-11,13H,1,12,14H2;2,5-12H,1,3-4,13H2;1-10H,11H2,(H,21,22);1-8H,9H2,(H,20,21);1H
• InChIKey: SSYCRZWPDSOYRX-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 203.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.91
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride?

The IUPAC name of 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride (CID 157435210) is 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride.

What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride?

The canonical SMILES for 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride is C=CCCC(=O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.C=CCn1ccnc1-c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.Cl.Clc1ccc(Cc2nc(-c3ccncc3)sc2-c2ncc[nH]2)cc1.O=C(O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.

What is the InChIKey of 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride?

The InChIKey is SSYCRZWPDSOYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4S.C20H17ClN2OS.C18H13ClN4S.C16H11ClN2O2S.ClH/c1-2-12-26-13-11-24-20(26)19-18(14-15-3-5-17(22)6-4-15)25-21(27-19)16-7-9-23-10-8-16;1-2-3-4-18(24)19-17(13-14-5-7-16(21)8-6-14)23-20(25-19)15-9-11-22-12-10-15;19-14-3-1-12(2-4-14)11-15-16(17-21-9-10-22-17)24-18(23-15)13-5-7-20-8-6-13;17-12-3-1-10(2-4-12)9-13-14(16(20)21)22-15(19-13)11-5-7-18-8-6-11;/h2-11,13H,1,12,14H2;2,5-12H,1,3-4,13H2;1-10H,11H2,(H,21,22);1-8H,9H2,(H,20,21);1H.

What are the key properties of 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride?

4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride has a molecular weight of 1481.91 g/mol, XLogP of 20.51, 21 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride is sourced from PubChem (CID 157435210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).