[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone

C15H15ClN2OS — CID 103422919

IUPAC[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESNc1cc(NCc2ccc(Cl)cc2)sc1C(=O)C1CC1
InChIInChI=1S/C15H15ClN2OS/c16-11-5-1-9(2-6-11)8-18-13-7-12(17)15(20-13)14(19)10-3-4-10/h1-2,5-7,10,18H,3-4,8,17H2
InChIKeyKIVHMXKJALFHMY-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.19
Rot. Bonds5

About [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103422919) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103422919
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESNc1cc(NCc2ccc(Cl)cc2)sc1C(=O)C1CC1
InChIInChI=1S/C15H15ClN2OS/c16-11-5-1-9(2-6-11)8-18-13-7-12(17)15(20-13)14(19)10-3-4-10/h1-2,5-7,10,18H,3-4,8,17H2
InChIKeyKIVHMXKJALFHMY-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone 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

methyl 3-amino-5-[(4-methylphenyl)methylamino]thiophene-2-carboxylate
CID 103426331
3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 106901131
[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103430251
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432151
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
4-[[(5-chlorothiophen-2-yl)amino]methyl]benzoic acid
CID 115221831
[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone (CID 103422919) is [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone is Nc1cc(NCc2ccc(Cl)cc2)sc1C(=O)C1CC1.
What is the InChIKey of [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is KIVHMXKJALFHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-11-5-1-9(2-6-11)8-18-13-7-12(17)15(20-13)14(19)10-3-4-10/h1-2,5-7,10,18H,3-4,8,17H2.
What are the key properties of [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 306.82 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103422919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).