2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide

C13H11N3O3S2 — CID 25137989

IUPAC2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#Cc2csc(CO)c2)cc1C(N)=O
InChIInChI=1S/C13H11N3O3S2/c14-11(18)10-4-8(21-12(10)16-13(15)19)2-1-7-3-9(5-17)20-6-7/h3-4,6,17H,5H2,(H2,14,18)(H3,15,16,19)
InChIKeyFIGIHJSBZKTIFK-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.29
Rot. Bonds3

About 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide (PubChem CID 25137989) has the molecular formula C13H11N3O3S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide
PubChem CID25137989
Molecular FormulaC13H11N3O3S2
Molecular Weight321.38 g/mol
Exact Mass321.02
IUPAC Name2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#Cc2csc(CO)c2)cc1C(N)=O
InChIInChI=1S/C13H11N3O3S2/c14-11(18)10-4-8(21-12(10)16-13(15)19)2-1-7-3-9(5-17)20-6-7/h3-4,6,17H,5H2,(H2,14,18)(H3,15,16,19)
InChIKeyFIGIHJSBZKTIFK-UHFFFAOYSA-N
XLogP1.29
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(Carbamoylamino)-5-[2-(5-cyanothiophen-3-yl)ethynyl]thiophene-3-carboxamide
CID 11438476
2-(Carbamoylamino)-5-[2-(thiophen-3-yl)ethynyl]thiophene-3-carboxamide
CID 25137988
2-(Carbamoylamino)-5-{2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl}thiophene-3-carboxamide
CID 25137990
2-(Carbamoylamino)-5-{2-[5-(1-hydroxy-2-methylpropyl)thiophen-3-yl]ethynyl}thiophene-3-carboxamide
CID 25137991
4,5-Dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid
CID 762476
2-(Thiophene-2-amido)thiophene-3-carboxylic acid
CID 16775428
2-(Carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
2-(Carbamoylamino)-5-prop-1-ynylthiophene-3-carboxylic acid
CID 69484256
2-(Carbamoylamino)-5-(2-phenylethynyl)thiophene-3-carboxylic acid
CID 69485740
2-(Carbamoylamino)-5-(3-methoxyprop-1-ynyl)thiophene-3-carboxylic acid
CID 69485756
2-(Carbamoylamino)-5-ethynylthiophene-3-carboxylic acid
CID 87854587
2-(Carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid
CID 142232370

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide (CID 25137989) is 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide is NC(=O)Nc1sc(C#Cc2csc(CO)c2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide?
The InChIKey is FIGIHJSBZKTIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S2/c14-11(18)10-4-8(21-12(10)16-13(15)19)2-1-7-3-9(5-17)20-6-7/h3-4,6,17H,5H2,(H2,14,18)(H3,15,16,19).
What are the key properties of 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide is sourced from PubChem (CID 25137989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).