4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride

C15H11Cl3N2S — CID 67551034

IUPAC4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride
SMILESCc1ccncc1-c1nc(-c2ccc(Cl)cc2Cl)cs1.Cl
InChIInChI=1S/C15H10Cl2N2S.ClH/c1-9-4-5-18-7-12(9)15-19-14(8-20-15)11-3-2-10(16)6-13(11)17;/h2-8H,1H3;1H
InChIKeyUTXMPZSPSXVRIP-UHFFFAOYSA-N
MW357.69 g/mol
LogP5.91
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride

4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride (PubChem CID 67551034) has the molecular formula C15H11Cl3N2S and a molecular weight of 357.69 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride
PubChem CID67551034
Molecular FormulaC15H11Cl3N2S
Molecular Weight357.69 g/mol
Exact Mass355.97
IUPAC Name4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride
SMILESCc1ccncc1-c1nc(-c2ccc(Cl)cc2Cl)cs1.Cl
InChIInChI=1S/C15H10Cl2N2S.ClH/c1-9-4-5-18-7-12(9)15-19-14(8-20-15)11-3-2-10(16)6-13(11)17;/h2-8H,1H3;1H
InChIKeyUTXMPZSPSXVRIP-UHFFFAOYSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.69
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride (CID 67551034) is 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride is Cc1ccncc1-c1nc(-c2ccc(Cl)cc2Cl)cs1.Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride?
The InChIKey is UTXMPZSPSXVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S.ClH/c1-9-4-5-18-7-12(9)15-19-14(8-20-15)11-3-2-10(16)6-13(11)17;/h2-8H,1H3;1H.
What are the key properties of 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride?
4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride has a molecular weight of 357.69 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 67551034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).