1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea

C9H13N3OS — CID 82508319

IUPAC1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea
SMILESNCc1ccsc1NC(=O)NC1CC1
InChIInChI=1S/C9H13N3OS/c10-5-6-3-4-14-8(6)12-9(13)11-7-1-2-7/h3-4,7H,1-2,5,10H2,(H2,11,12,13)
InChIKeyQPWHOTBZHYVCMJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.49
Rot. Bonds3

About 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea

1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea (PubChem CID 82508319) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea
PubChem CID82508319
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea
SMILESNCc1ccsc1NC(=O)NC1CC1
InChIInChI=1S/C9H13N3OS/c10-5-6-3-4-14-8(6)12-9(13)11-7-1-2-7/h3-4,7H,1-2,5,10H2,(H2,11,12,13)
InChIKeyQPWHOTBZHYVCMJ-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
4-[(2-bromothiophen-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122013522
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-[2-(hydroxymethyl)phenyl]urea
CID 62699685
4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 66355665
2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114548192
2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114425
1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
CID 62700602
1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea
CID 116658180
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea?
The IUPAC name of 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea (CID 82508319) is 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea is NCc1ccsc1NC(=O)NC1CC1.
What is the InChIKey of 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea?
The InChIKey is QPWHOTBZHYVCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-5-6-3-4-14-8(6)12-9(13)11-7-1-2-7/h3-4,7H,1-2,5,10H2,(H2,11,12,13).
What are the key properties of 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea?
1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea has a molecular weight of 211.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea is sourced from PubChem (CID 82508319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).