4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide

C13H14N4OS — CID 122558978

IUPAC4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1nc(CCNC(=O)c2cc(C#N)c[nH]2)cs1
InChIInChI=1S/C13H14N4OS/c1-2-12-17-10(8-19-12)3-4-15-13(18)11-5-9(6-14)7-16-11/h5,7-8,16H,2-4H2,1H3,(H,15,18)
InChIKeySLTOEHXNQCHAAE-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.88
Rot. Bonds5

About 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 122558978) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID122558978
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1nc(CCNC(=O)c2cc(C#N)c[nH]2)cs1
InChIInChI=1S/C13H14N4OS/c1-2-12-17-10(8-19-12)3-4-15-13(18)11-5-9(6-14)7-16-11/h5,7-8,16H,2-4H2,1H3,(H,15,18)
InChIKeySLTOEHXNQCHAAE-UHFFFAOYSA-N
XLogP1.88
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
4-cyano-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 121494229
2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 122558387
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95300643
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119869571
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115607889
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95275004
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95275005

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 122558978) is 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide is CCc1nc(CCNC(=O)c2cc(C#N)c[nH]2)cs1.
What is the InChIKey of 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SLTOEHXNQCHAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-12-17-10(8-19-12)3-4-15-13(18)11-5-9(6-14)7-16-11/h5,7-8,16H,2-4H2,1H3,(H,15,18).
What are the key properties of 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122558978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).