1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea

C8H12ClN3OS — CID 117235314

IUPAC1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea
SMILESNCCCNC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C8H12ClN3OS/c9-6-2-3-7(14-6)12-8(13)11-5-1-4-10/h2-3H,1,4-5,10H2,(H2,11,12,13)
InChIKeyMJQKDJXAFZHGIJ-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.87
Rot. Bonds4

About 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea

1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea (PubChem CID 117235314) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea
PubChem CID117235314
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea
SMILESNCCCNC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C8H12ClN3OS/c9-6-2-3-7(14-6)12-8(13)11-5-1-4-10/h2-3H,1,4-5,10H2,(H2,11,12,13)
InChIKeyMJQKDJXAFZHGIJ-UHFFFAOYSA-N
XLogP1.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide
CID 115156873
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea
CID 111486708
N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide
CID 115166906
1-(3-aminopropyl)-3-(2-bromophenyl)urea
CID 117235774
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119408363
1-(2-aminoethyl)-3-(3-aminopropyl)urea
CID 154943147
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
3-(3-aminopropylcarbamoylamino)-2-methylbenzoic acid
CID 62947767
4-[(5-chlorothiophen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 115220996
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea (CID 117235314) is 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea is NCCCNC(=O)Nc1ccc(Cl)s1.
What is the InChIKey of 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea?
The InChIKey is MJQKDJXAFZHGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c9-6-2-3-7(14-6)12-8(13)11-5-1-4-10/h2-3H,1,4-5,10H2,(H2,11,12,13).
What are the key properties of 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea?
1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea has a molecular weight of 233.72 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea is sourced from PubChem (CID 117235314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).