6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C18H21ClN4OS — CID 95195402

IUPAC6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC[C@@H](CNC(=O)c1csc2nc(-c3ccccc3Cl)cn12)N(C)C
InChIInChI=1S/C18H21ClN4OS/c1-4-12(22(2)3)9-20-17(24)16-11-25-18-21-15(10-23(16)18)13-7-5-6-8-14(13)19/h5-8,10-12H,4,9H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyYMOJOPBXPGELAH-LBPRGKRZSA-N
MW376.91 g/mol
LogP3.79
Rot. Bonds6

About 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 95195402) has the molecular formula C18H21ClN4OS and a molecular weight of 376.91 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID95195402
Molecular FormulaC18H21ClN4OS
Molecular Weight376.91 g/mol
Exact Mass376.11
IUPAC Name6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC[C@@H](CNC(=O)c1csc2nc(-c3ccccc3Cl)cn12)N(C)C
InChIInChI=1S/C18H21ClN4OS/c1-4-12(22(2)3)9-20-17(24)16-11-25-18-21-15(10-23(16)18)13-7-5-6-8-14(13)19/h5-8,10-12H,4,9H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyYMOJOPBXPGELAH-LBPRGKRZSA-N
XLogP3.79
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
dimethyl (2R)-2-[[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]butanedioate
CID 25287668
6-(2-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42530318
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42596719
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45195627
6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45206173
6-(2-chlorophenyl)-N-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 28955168
6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25278725
N-[1-(dimethylamino)propan-2-yl]-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56740348
N-(2-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271470
6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42512524
N-(2-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271748

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 95195402) is 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC[C@@H](CNC(=O)c1csc2nc(-c3ccccc3Cl)cn12)N(C)C.
What is the InChIKey of 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is YMOJOPBXPGELAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21ClN4OS/c1-4-12(22(2)3)9-20-17(24)16-11-25-18-21-15(10-23(16)18)13-7-5-6-8-14(13)19/h5-8,10-12H,4,9H2,1-3H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 376.91 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 95195402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).