2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide

C16H20N4OS — CID 95777440

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide
SMILESC[C@@H](CCc1cccn1C)NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C16H20N4OS/c1-12(5-6-14-4-3-7-19(14)2)17-15(21)10-13-11-20-8-9-22-16(20)18-13/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyOTGOQQLKOUOJHM-LBPRGKRZSA-N
MW316.43 g/mol
LogP2.41
Rot. Bonds6

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide (PubChem CID 95777440) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide
PubChem CID95777440
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide
SMILESC[C@@H](CCc1cccn1C)NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C16H20N4OS/c1-12(5-6-14-4-3-7-19(14)2)17-15(21)10-13-11-20-8-9-22-16(20)18-13/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyOTGOQQLKOUOJHM-LBPRGKRZSA-N
XLogP2.41
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51097716
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134053660
N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 97072647
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55827901
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 23404768
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 71991764
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
CID 116599074
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51254649
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate
CID 51257249

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide (CID 95777440) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide is C[C@@H](CCc1cccn1C)NC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide?
The InChIKey is OTGOQQLKOUOJHM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12(5-6-14-4-3-7-19(14)2)17-15(21)10-13-11-20-8-9-22-16(20)18-13/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 95777440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).