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

C10H9ClN2S — CID 2228702

IUPACN-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN2S/c1-7-6-14-10(12-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyYFMDICSBNKOPAE-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.85
Rot. Bonds2

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

N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 2228702) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID2228702
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC NameN-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN2S/c1-7-6-14-10(12-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyYFMDICSBNKOPAE-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.85
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-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine (CID 2228702) is N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YFMDICSBNKOPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-7-6-14-10(12-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13).
What are the key properties of N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 224.72 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2228702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).