2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide

C15H15N3O3S2 — CID 25137990

IUPAC2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide
SMILESCCC(O)c1cc(C#Cc2cc(C(N)=O)c(NC(N)=O)s2)cs1
InChIInChI=1S/C15H15N3O3S2/c1-2-11(19)12-5-8(7-22-12)3-4-9-6-10(13(16)20)14(23-9)18-15(17)21/h5-7,11,19H,2H2,1H3,(H2,16,20)(H3,17,18,21)
InChIKeyYFEAUXQZZQNVTD-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.24
Rot. Bonds4

About 2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide (PubChem CID 25137990) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide
PubChem CID25137990
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide
SMILESCCC(O)c1cc(C#Cc2cc(C(N)=O)c(NC(N)=O)s2)cs1
InChIInChI=1S/C15H15N3O3S2/c1-2-11(19)12-5-8(7-22-12)3-4-9-6-10(13(16)20)14(23-9)18-15(17)21/h5-7,11,19H,2H2,1H3,(H2,16,20)(H3,17,18,21)
InChIKeyYFEAUXQZZQNVTD-UHFFFAOYSA-N
XLogP2.24
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.24
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-(thiophen-3-yl)ethynyl]thiophene-3-carboxamide
CID 25137988
2-(Carbamoylamino)-5-{2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl}thiophene-3-carboxamide
CID 25137989
2-(Carbamoylamino)-5-{2-[5-(1-hydroxy-2-methylpropyl)thiophen-3-yl]ethynyl}thiophene-3-carboxamide
CID 25137991
2-(Carbamoylamino)-5-prop-1-ynylthiophene-3-carboxylic acid
CID 69484256
2-(Carbamoylamino)-5-(3-methoxyprop-1-ynyl)thiophene-3-carboxylic acid
CID 69485756
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-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide (CID 25137990) is 2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide is CCC(O)c1cc(C#Cc2cc(C(N)=O)c(NC(N)=O)s2)cs1.
What is the InChIKey of 2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide?
The InChIKey is YFEAUXQZZQNVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-2-11(19)12-5-8(7-22-12)3-4-9-6-10(13(16)20)14(23-9)18-15(17)21/h5-7,11,19H,2H2,1H3,(H2,16,20)(H3,17,18,21).
What are the key properties of 2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.24, 4 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-(1-hydroxypropyl)thiophen-3-yl]ethynyl]thiophene-3-carboxamide is sourced from PubChem (CID 25137990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).