(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C21H20Cl2N2O2S — CID 143691995

IUPAC(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCC(C)C1C(C(=O)O)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C21H20Cl2N2O2S/c1-11(2)17-19(20(26)27)28-21-24-16(12-3-7-14(22)8-4-12)18(25(17)21)13-5-9-15(23)10-6-13/h3-11,16-19H,1-2H3,(H,26,27)/t16-,17?,18+,19?/m0/s1
InChIKeyRCFWSFCMTNLGQZ-BKVYNOPKSA-N
MW435.38 g/mol
LogP5.67
Rot. Bonds4

About (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 143691995) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID143691995
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC Name(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCC(C)C1C(C(=O)O)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C21H20Cl2N2O2S/c1-11(2)17-19(20(26)27)28-21-24-16(12-3-7-14(22)8-4-12)18(25(17)21)13-5-9-15(23)10-6-13/h3-11,16-19H,1-2H3,(H,26,27)/t16-,17?,18+,19?/m0/s1
InChIKeyRCFWSFCMTNLGQZ-BKVYNOPKSA-N
XLogP5.67
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 78225573
5,6-bis(4-chlorophenyl)-3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 58006794
(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
2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-1-(3-methylbutanoyl)-4,5-dihydroimidazol-2-yl]phenoxy]acetic acid
CID 10311618
tert-butyl 3-[[(5R)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]pyrrolidine-1-carboxylate
CID 143692253
1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one
CID 22721058
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
(3S,4S)-1-tert-butyl-4-(4-chlorophenyl)-3-methylazetidin-2-one
CID 11288191

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 143691995) is (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CC(C)C1C(C(=O)O)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.
What is the InChIKey of (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is RCFWSFCMTNLGQZ-BKVYNOPKSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-11(2)17-19(20(26)27)28-21-24-16(12-3-7-14(22)8-4-12)18(25(17)21)13-5-9-15(23)10-6-13/h3-11,16-19H,1-2H3,(H,26,27)/t16-,17?,18+,19?/m0/s1.
What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 435.38 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 143691995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).