2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

C14H16N4O2S2 — CID 18141467

IUPAC2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
SMILESCC(Sc1nccn1C1CC1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C14H16N4O2S2/c1-8(22-14-16-5-6-18(14)9-2-3-9)12(20)17-13-10(11(15)19)4-7-21-13/h4-9H,2-3H2,1H3,(H2,15,19)(H,17,20)
InChIKeyHCONUGQXIIMQJX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.50
Rot. Bonds6

About 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide (PubChem CID 18141467) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
PubChem CID18141467
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
SMILESCC(Sc1nccn1C1CC1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C14H16N4O2S2/c1-8(22-14-16-5-6-18(14)9-2-3-9)12(20)17-13-10(11(15)19)4-7-21-13/h4-9H,2-3H2,1H3,(H2,15,19)(H,17,20)
InChIKeyHCONUGQXIIMQJX-UHFFFAOYSA-N
XLogP2.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 40675733
2-[[(2S)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 40675933
2-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 17470986
N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 46695811
2-[[(2S)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 41210615
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 46688714
2-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 46618740
2-[[(2S)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739946
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 16587948
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8940061
2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 27968977
2-[[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739840

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide (CID 18141467) is 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide is CC(Sc1nccn1C1CC1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide?
The InChIKey is HCONUGQXIIMQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-8(22-14-16-5-6-18(14)9-2-3-9)12(20)17-13-10(11(15)19)4-7-21-13/h4-9H,2-3H2,1H3,(H2,15,19)(H,17,20).
What are the key properties of 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide?
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 18141467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).