N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C12H12N2O2S2 — CID 115764961

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(CO)CC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C12H12N2O2S2/c15-7-12(2-3-12)14-10(16)9-6-18-11(13-9)8-1-4-17-5-8/h1,4-6,15H,2-3,7H2,(H,14,16)
InChIKeyLAKULDWIIGUYPY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.13
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 115764961) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID115764961
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(CO)CC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C12H12N2O2S2/c15-7-12(2-3-12)14-10(16)9-6-18-11(13-9)8-1-4-17-5-8/h1,4-6,15H,2-3,7H2,(H,14,16)
InChIKeyLAKULDWIIGUYPY-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43357798
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 103954321
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103849544
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 115764961) is N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(NC1(CO)CC1)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LAKULDWIIGUYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c15-7-12(2-3-12)14-10(16)9-6-18-11(13-9)8-1-4-17-5-8/h1,4-6,15H,2-3,7H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115764961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).