2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide

C28H32Cl2N4O2S — CID 143692016

IUPAC2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide
SMILESCC(C)C1=C(C(=O)N2CCCC2CC(N)=O)SC2N(C)C(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12
InChIInChI=1S/C28H32Cl2N4O2S/c1-16(2)23-26(27(36)33-14-4-5-21(33)15-22(31)35)37-28-32(3)24(17-6-10-19(29)11-7-17)25(34(23)28)18-8-12-20(30)13-9-18/h6-13,16,21,24-25,28H,4-5,14-15H2,1-3H3,(H2,31,35)/t21?,24?,25-,28?/m1/s1
InChIKeyPABDKJDFEYNDOP-PYDVBXDWSA-N
MW559.56 g/mol
LogP5.79
Rot. Bonds6

About 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide

2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide (PubChem CID 143692016) has the molecular formula C28H32Cl2N4O2S and a molecular weight of 559.56 g/mol. Its IUPAC name is 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide
PubChem CID143692016
Molecular FormulaC28H32Cl2N4O2S
Molecular Weight559.56 g/mol
Exact Mass558.16
IUPAC Name2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide
SMILESCC(C)C1=C(C(=O)N2CCCC2CC(N)=O)SC2N(C)C(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12
InChIInChI=1S/C28H32Cl2N4O2S/c1-16(2)23-26(27(36)33-14-4-5-21(33)15-22(31)35)37-28-32(3)24(17-6-10-19(29)11-7-17)25(34(23)28)18-8-12-20(30)13-9-18/h6-13,16,21,24-25,28H,4-5,14-15H2,1-3H3,(H2,31,35)/t21?,24?,25-,28?/m1/s1
InChIKeyPABDKJDFEYNDOP-PYDVBXDWSA-N
XLogP5.79
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide with MolForge

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Related Compounds

2-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide
CID 58007117
3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119721633
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
(2S)-N-[(2S)-2-[acetyl(methyl)amino]propyl]-1-[(5R,6S)-6-(4-chlorocyclohexa-1,3-dien-1-yl)-5-(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 143691970
2-(1-acetylpyrrolidin-2-yl)acetamide
CID 127011222
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 119631438
2-[(2S)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 95974386
2-[1-(2-chloro-5-piperidin-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 135119763
2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide
CID 163906942
2-[1-(2,4-dichlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372414
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide (CID 143692016) is 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide is CC(C)C1=C(C(=O)N2CCCC2CC(N)=O)SC2N(C)C(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12.
What is the InChIKey of 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide?
The InChIKey is PABDKJDFEYNDOP-PYDVBXDWSA-N. The full InChI is InChI=1S/C28H32Cl2N4O2S/c1-16(2)23-26(27(36)33-14-4-5-21(33)15-22(31)35)37-28-32(3)24(17-6-10-19(29)11-7-17)25(34(23)28)18-8-12-20(30)13-9-18/h6-13,16,21,24-25,28H,4-5,14-15H2,1-3H3,(H2,31,35)/t21?,24?,25-,28?/m1/s1.
What are the key properties of 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide?
2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide has a molecular weight of 559.56 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5R)-5,6-bis(4-chlorophenyl)-7-methyl-3-propan-2-yl-6,7a-dihydro-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 143692016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).