(5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide

C22H21Cl2N3OS — CID 146994586

IUPAC(5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCNC(=O)C1=C(C(C)C)N2C(=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1
InChIInChI=1S/C22H21Cl2N3OS/c1-12(2)18-20(21(28)25-3)29-22-26-17(13-4-8-15(23)9-5-13)19(27(18)22)14-6-10-16(24)11-7-14/h4-12,17,19H,1-3H3,(H,25,28)/t17-,19+/m0/s1
InChIKeyAQVOECXTNDLHJV-PKOBYXMFSA-N
MW446.40 g/mol
LogP5.81
Rot. Bonds4

About (5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide

(5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 146994586) has the molecular formula C22H21Cl2N3OS and a molecular weight of 446.40 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID146994586
Molecular FormulaC22H21Cl2N3OS
Molecular Weight446.40 g/mol
Exact Mass445.08
IUPAC Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCNC(=O)C1=C(C(C)C)N2C(=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1
InChIInChI=1S/C22H21Cl2N3OS/c1-12(2)18-20(21(28)25-3)29-22-26-17(13-4-8-15(23)9-5-13)19(27(18)22)14-6-10-16(24)11-7-14/h4-12,17,19H,1-3H3,(H,25,28)/t17-,19+/m0/s1
InChIKeyAQVOECXTNDLHJV-PKOBYXMFSA-N
XLogP5.81
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.40
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(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
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
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
4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one
CID 143692244
4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
CID 71472830
(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
(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
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
[(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone
CID 70237292

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of (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) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for (5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide is CNC(=O)C1=C(C(C)C)N2C(=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1.
What is the InChIKey of (5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is AQVOECXTNDLHJV-PKOBYXMFSA-N. The full InChI is InChI=1S/C22H21Cl2N3OS/c1-12(2)18-20(21(28)25-3)29-22-26-17(13-4-8-15(23)9-5-13)19(27(18)22)14-6-10-16(24)11-7-14/h4-12,17,19H,1-3H3,(H,25,28)/t17-,19+/m0/s1.
What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
(5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 446.40 g/mol, XLogP of 5.81, 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)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 146994586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).