1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea

C9H10N2OS — CID 130682664

IUPAC1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
SMILESC#CCNC(=O)NCc1ccsc1
InChIInChI=1S/C9H10N2OS/c1-2-4-10-9(12)11-6-8-3-5-13-7-8/h1,3,5,7H,4,6H2,(H2,10,11,12)
InChIKeyHDEQGFWMUWKDHG-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.18
Rot. Bonds3

About 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea

1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea (PubChem CID 130682664) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
PubChem CID130682664
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
SMILESC#CCNC(=O)NCc1ccsc1
InChIInChI=1S/C9H10N2OS/c1-2-4-10-9(12)11-6-8-3-5-13-7-8/h1,3,5,7H,4,6H2,(H2,10,11,12)
InChIKeyHDEQGFWMUWKDHG-UHFFFAOYSA-N
XLogP1.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea 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-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine
CID 111849920
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
1-(4-hydroxy-2,2-dimethylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504565
1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504571
1-(2-piperidin-1-ylethyl)-3-(thiophen-3-ylmethyl)urea
CID 47247061
2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 59609658
methyl 2-oxo-2-(thiophen-3-ylmethylamino)acetate
CID 112617233
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
CID 63244412
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
CID 63244762

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea (CID 130682664) is 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea is C#CCNC(=O)NCc1ccsc1.
What is the InChIKey of 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea?
The InChIKey is HDEQGFWMUWKDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-4-10-9(12)11-6-8-3-5-13-7-8/h1,3,5,7H,4,6H2,(H2,10,11,12).
What are the key properties of 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea?
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea has a molecular weight of 194.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 130682664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).