2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide

C16H17N3OS3 — CID 92563903

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
SMILESCc1csc([C@@H](Cc2ccsc2)NC(=O)Cc2csc(C)n2)n1
InChIInChI=1S/C16H17N3OS3/c1-10-7-23-16(17-10)14(5-12-3-4-21-8-12)19-15(20)6-13-9-22-11(2)18-13/h3-4,7-9,14H,5-6H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyFRAIGKLKXHLJFT-CQSZACIVSA-N
MW363.53 g/mol
LogP3.92
Rot. Bonds6

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide (PubChem CID 92563903) has the molecular formula C16H17N3OS3 and a molecular weight of 363.53 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
PubChem CID92563903
Molecular FormulaC16H17N3OS3
Molecular Weight363.53 g/mol
Exact Mass363.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
SMILESCc1csc([C@@H](Cc2ccsc2)NC(=O)Cc2csc(C)n2)n1
InChIInChI=1S/C16H17N3OS3/c1-10-7-23-16(17-10)14(5-12-3-4-21-8-12)19-15(20)6-13-9-22-11(2)18-13/h3-4,7-9,14H,5-6H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyFRAIGKLKXHLJFT-CQSZACIVSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-pyrazol-1-ylbutanamide
CID 92563878
(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide
CID 92563868
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 46955487
3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 92563894
3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 92563893
1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-6-oxopyridine-3-carboxamide
CID 110221963
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
CID 62800195
2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 110221934
5-ethyl-2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 110221976
(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-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 92588187
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 110221941

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide (CID 92563903) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide is Cc1csc([C@@H](Cc2ccsc2)NC(=O)Cc2csc(C)n2)n1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is FRAIGKLKXHLJFT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3OS3/c1-10-7-23-16(17-10)14(5-12-3-4-21-8-12)19-15(20)6-13-9-22-11(2)18-13/h3-4,7-9,14H,5-6H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 363.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 92563903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).