2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C12H15ClN4S — CID 81252077

IUPAC2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCn1cnnc1CCNC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H15ClN4S/c1-17-7-15-16-12(17)4-5-14-9-2-3-10-8(9)6-11(13)18-10/h6-7,9,14H,2-5H2,1H3
InChIKeySXWVMYALOVQBGO-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.35
Rot. Bonds4

About 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252077) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252077
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCn1cnnc1CCNC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H15ClN4S/c1-17-7-15-16-12(17)4-5-14-9-2-3-10-8(9)6-11(13)18-10/h6-7,9,14H,2-5H2,1H3
InChIKeySXWVMYALOVQBGO-UHFFFAOYSA-N
XLogP2.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine 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-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690491
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251498
3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 63332450
2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251743
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103004985
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 63332774
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine
CID 79741326
2-chloro-N-(5-methylhexyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 113287334
4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine
CID 65088048
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-methylpropanamide
CID 81252804
5,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thian-3-amine
CID 79958732
methyl 4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]butanoate
CID 81252064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252077) is 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Cn1cnnc1CCNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is SXWVMYALOVQBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-17-7-15-16-12(17)4-5-14-9-2-3-10-8(9)6-11(13)18-10/h6-7,9,14H,2-5H2,1H3.
What are the key properties of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 282.80 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).