N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C13H14N2OS2 — CID 17458448

IUPACN-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(-c2ccsc2)n1)C1CC1
InChIInChI=1S/C13H14N2OS2/c1-8(9-2-3-9)14-12(16)11-7-18-13(15-11)10-4-5-17-6-10/h4-9H,2-3H2,1H3,(H,14,16)
InChIKeyYNIYLQJVAXSKNN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.40
Rot. Bonds4

About N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 17458448) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID17458448
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(-c2ccsc2)n1)C1CC1
InChIInChI=1S/C13H14N2OS2/c1-8(9-2-3-9)14-12(16)11-7-18-13(15-11)10-4-5-17-6-10/h4-9H,2-3H2,1H3,(H,14,16)
InChIKeyYNIYLQJVAXSKNN-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-[1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 43013699
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-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18089607
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-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55550967
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103280451

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 17458448) is N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(-c2ccsc2)n1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YNIYLQJVAXSKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-8(9-2-3-9)14-12(16)11-7-18-13(15-11)10-4-5-17-6-10/h4-9H,2-3H2,1H3,(H,14,16).
What are the key properties of N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17458448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).