4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide

C17H20N4OS2 — CID 92565850

IUPAC4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
SMILESCc1nccn1CCCC(=O)N[C@@H](Cc1ccsc1)c1nccs1
InChIInChI=1S/C17H20N4OS2/c1-13-18-5-8-21(13)7-2-3-16(22)20-15(17-19-6-10-24-17)11-14-4-9-23-12-14/h4-6,8-10,12,15H,2-3,7,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyNTIDZUDBTIOQAI-HNNXBMFYSA-N
MW360.51 g/mol
LogP3.59
Rot. Bonds8

About 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide

4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide (PubChem CID 92565850) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
PubChem CID92565850
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC Name4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
SMILESCc1nccn1CCCC(=O)N[C@@H](Cc1ccsc1)c1nccs1
InChIInChI=1S/C17H20N4OS2/c1-13-18-5-8-21(13)7-2-3-16(22)20-15(17-19-6-10-24-17)11-14-4-9-23-12-14/h4-6,8-10,12,15H,2-3,7,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyNTIDZUDBTIOQAI-HNNXBMFYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 110221863
2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 110221934
(2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 92563857
5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 110221887
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 46955487
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide
CID 46955492
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
CID 95303083
1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione
CID 110221820
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 46966595
4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide
CID 110222194
(3R)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-pyrazol-1-ylbutanamide
CID 92563878

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide (CID 92565850) is 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide is Cc1nccn1CCCC(=O)N[C@@H](Cc1ccsc1)c1nccs1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide?
The InChIKey is NTIDZUDBTIOQAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-13-18-5-8-21(13)7-2-3-16(22)20-15(17-19-6-10-24-17)11-14-4-9-23-12-14/h4-6,8-10,12,15H,2-3,7,11H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide?
4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide has a molecular weight of 360.51 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide is sourced from PubChem (CID 92565850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).