5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C18H19ClN2O2S — CID 143692153

IUPAC5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESC/C=C/C1N=C2SC(C(=O)O)=C(C(C)C)N2C1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-4-5-13-15(11-6-8-12(19)9-7-11)21-14(10(2)3)16(17(22)23)24-18(21)20-13/h4-10,13,15H,1-3H3,(H,22,23)/b5-4+
InChIKeyICVRAQHTWGRUIO-SNAWJCMRSA-N
MW362.88 g/mol
LogP4.70
Rot. Bonds4

About 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 143692153) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID143692153
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESC/C=C/C1N=C2SC(C(=O)O)=C(C(C)C)N2C1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-4-5-13-15(11-6-8-12(19)9-7-11)21-14(10(2)3)16(17(22)23)24-18(21)20-13/h4-10,13,15H,1-3H3,(H,22,23)/b5-4+
InChIKeyICVRAQHTWGRUIO-SNAWJCMRSA-N
XLogP4.70
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 146994586
[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71453054
2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 143692088
(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide
CID 143692049
1-[5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,4-diazepan-5-one
CID 58007479
(5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 58006971
(5R,6S)-5-(4-chlorophenyl)-6-(3,4-difluorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 68804579
6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 58007093
carbamoyl (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidine-2-carboximidate
CID 143692194
(5R,6S)-3-(1-bromoethyl)-5,6-bis(4-chlorophenyl)-6-methyl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 68805391
(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 160955270
1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 68806087

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 143692153) is 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is C/C=C/C1N=C2SC(C(=O)O)=C(C(C)C)N2C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is ICVRAQHTWGRUIO-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-4-5-13-15(11-6-8-12(19)9-7-11)21-14(10(2)3)16(17(22)23)24-18(21)20-13/h4-10,13,15H,1-3H3,(H,22,23)/b5-4+.
What are the key properties of 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 362.88 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-propan-2-yl-6-[(E)-prop-1-enyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 143692153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).