N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide

C13H11N3OS2 — CID 24687215

IUPACN-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C13H11N3OS2/c17-12(6-9-3-5-18-7-9)16-13-15-11(8-19-13)10-2-1-4-14-10/h1-5,7-8,14H,6H2,(H,15,16,17)
InChIKeyKJACPKUGRXNSFK-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.38
Rot. Bonds4

About N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide

N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide (PubChem CID 24687215) has the molecular formula C13H11N3OS2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
PubChem CID24687215
Molecular FormulaC13H11N3OS2
Molecular Weight289.38 g/mol
Exact Mass289.03
IUPAC NameN-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C13H11N3OS2/c17-12(6-9-3-5-18-7-9)16-13-15-11(8-19-13)10-2-1-4-14-10/h1-5,7-8,14H,6H2,(H,15,16,17)
InChIKeyKJACPKUGRXNSFK-UHFFFAOYSA-N
XLogP3.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 51094859
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17404495
2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965645
3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 167977469
1,1-dioxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thiolane-3-carboxamide
CID 47011446
(2R)-2-but-3-enoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 94211452
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 31349965
6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 36537742
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide (CID 24687215) is N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1nc(-c2ccc[nH]2)cs1.
What is the InChIKey of N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide?
The InChIKey is KJACPKUGRXNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c17-12(6-9-3-5-18-7-9)16-13-15-11(8-19-13)10-2-1-4-14-10/h1-5,7-8,14H,6H2,(H,15,16,17).
What are the key properties of N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide?
N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide has a molecular weight of 289.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 24687215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).