N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine

C12H11ClN2S — CID 714147

IUPACN-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C12H11ClN2S/c13-9-3-5-10(6-4-9)14-12-15-11(7-16-12)8-1-2-8/h3-8H,1-2H2,(H,14,15)
InChIKeyZFBCAPDBULKKPX-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.42
Rot. Bonds3

About N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine

N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 714147) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine
PubChem CID714147
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC NameN-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C12H11ClN2S/c13-9-3-5-10(6-4-9)14-12-15-11(7-16-12)8-1-2-8/h3-8H,1-2H2,(H,14,15)
InChIKeyZFBCAPDBULKKPX-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine (CID 714147) is N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(C3CC3)cs2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is ZFBCAPDBULKKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-9-3-5-10(6-4-9)14-12-15-11(7-16-12)8-1-2-8/h3-8H,1-2H2,(H,14,15).
What are the key properties of N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 250.75 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 714147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).