2-(carbamoylamino)-5-propylthiophene-3-carboxamide

C9H13N3O2S — CID 91098871

IUPAC2-(carbamoylamino)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(N)=O)s1
InChIInChI=1S/C9H13N3O2S/c1-2-3-5-4-6(7(10)13)8(15-5)12-9(11)14/h4H,2-3H2,1H3,(H2,10,13)(H3,11,12,14)
InChIKeyYQXJTACRMCGYFC-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.29
Rot. Bonds4

About 2-(carbamoylamino)-5-propylthiophene-3-carboxamide

2-(carbamoylamino)-5-propylthiophene-3-carboxamide (PubChem CID 91098871) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-propylthiophene-3-carboxamide
PubChem CID91098871
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-(carbamoylamino)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(N)=O)s1
InChIInChI=1S/C9H13N3O2S/c1-2-3-5-4-6(7(10)13)8(15-5)12-9(11)14/h4H,2-3H2,1H3,(H2,10,13)(H3,11,12,14)
InChIKeyYQXJTACRMCGYFC-UHFFFAOYSA-N
XLogP1.29
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-5-propylthiophene-3-carboxamide
CID 1246587
(1R,6R)-6-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27519842
(2S,3R)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27519826
(2S,3S)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27519828
N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245035
(1S,2R,3R,4S)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98299959
(1S,2R,3S,4R)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51706145
(1R,2S,3R,4S)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 51706141
ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095200
ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095194
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide
CID 35523946
2-amino-5-propylthiophene-3-carbohydrazide
CID 42583185

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-propylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-propylthiophene-3-carboxamide (CID 91098871) is 2-(carbamoylamino)-5-propylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-propylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-propylthiophene-3-carboxamide is CCCc1cc(C(N)=O)c(NC(N)=O)s1.
What is the InChIKey of 2-(carbamoylamino)-5-propylthiophene-3-carboxamide?
The InChIKey is YQXJTACRMCGYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-3-5-4-6(7(10)13)8(15-5)12-9(11)14/h4H,2-3H2,1H3,(H2,10,13)(H3,11,12,14).
What are the key properties of 2-(carbamoylamino)-5-propylthiophene-3-carboxamide?
2-(carbamoylamino)-5-propylthiophene-3-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 91098871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).