2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

C16H18N2OS2 — CID 8941345

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
SMILESCc1nc(-c2ccc(CNC(=O)C[C@@H]3C=CCC3)s2)cs1
InChIInChI=1S/C16H18N2OS2/c1-11-18-14(10-20-11)15-7-6-13(21-15)9-17-16(19)8-12-4-2-3-5-12/h2,4,6-7,10,12H,3,5,8-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyLGKLEOSOFOKNMK-GFCCVEGCSA-N
MW318.47 g/mol
LogP4.15
Rot. Bonds5

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide (PubChem CID 8941345) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
PubChem CID8941345
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
SMILESCc1nc(-c2ccc(CNC(=O)C[C@@H]3C=CCC3)s2)cs1
InChIInChI=1S/C16H18N2OS2/c1-11-18-14(10-20-11)15-7-6-13(21-15)9-17-16(19)8-12-4-2-3-5-12/h2,4,6-7,10,12H,3,5,8-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyLGKLEOSOFOKNMK-GFCCVEGCSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941337
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534279
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
CID 24550813
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 8941199
4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
CID 8940627
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17468804
1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea
CID 155950948
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24550817
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide (CID 8941345) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide is Cc1nc(-c2ccc(CNC(=O)C[C@@H]3C=CCC3)s2)cs1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The InChIKey is LGKLEOSOFOKNMK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-11-18-14(10-20-11)15-7-6-13(21-15)9-17-16(19)8-12-4-2-3-5-12/h2,4,6-7,10,12H,3,5,8-9H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide has a molecular weight of 318.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8941345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).