2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide

C11H11N3O2S — CID 25137997

IUPAC2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#CC2CC2)cc1C(N)=O
InChIInChI=1S/C11H11N3O2S/c12-9(15)8-5-7(4-3-6-1-2-6)17-10(8)14-11(13)16/h5-6H,1-2H2,(H2,12,15)(H3,13,14,16)
InChIKeyKMOKNYYFGYTOIL-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.10
Rot. Bonds2

About 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide

2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide (PubChem CID 25137997) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide
PubChem CID25137997
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#CC2CC2)cc1C(N)=O
InChIInChI=1S/C11H11N3O2S/c12-9(15)8-5-7(4-3-6-1-2-6)17-10(8)14-11(13)16/h5-6H,1-2H2,(H2,12,15)(H3,13,14,16)
InChIKeyKMOKNYYFGYTOIL-UHFFFAOYSA-N
XLogP1.10
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-5-[2-(4-methoxyphenyl)ethynyl]thiophene-3-carboxamide
CID 142840319
2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide
CID 143129001
2-(carbamoylamino)-5-[2-(4-fluorophenyl)ethynyl]thiophene-3-carboxylic acid
CID 91606334
(2S)-2-[[4-[2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]methylamino]-4-cyclopentyl-4-methylpentanoic acid
CID 66770035
(2R)-2-[[4-[2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]methylamino]-4-cyclopentyl-4-methylpentanoic acid
CID 66770036
2-(carbamoylamino)-5-propylthiophene-3-carboxamide
CID 91098871
2-(carbamoylamino)-5-[2-(4-methoxyphenyl)ethynyl]thiophene-3-carboxylic acid
CID 91367020
2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide
CID 68715173
methyl N-[3-[3-[2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]anilino]-3-oxopropyl]carbamate
CID 25138006
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-ethynylthiophene-3-carboxylate
CID 90818243
2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide
CID 143129035
(2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 10199466

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide (CID 25137997) is 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide is NC(=O)Nc1sc(C#CC2CC2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide?
The InChIKey is KMOKNYYFGYTOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-9(15)8-5-7(4-3-6-1-2-6)17-10(8)14-11(13)16/h5-6H,1-2H2,(H2,12,15)(H3,13,14,16).
What are the key properties of 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide?
2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide is sourced from PubChem (CID 25137997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).