N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C12H15ClN2S — CID 2546024

IUPACN-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(C)(C)CS2)cc1Cl
InChIInChI=1S/C12H15ClN2S/c1-8-4-5-9(6-10(8)13)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyLZQMUKBAULMISW-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.94
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 2546024) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID2546024
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC NameN-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(C)(C)CS2)cc1Cl
InChIInChI=1S/C12H15ClN2S/c1-8-4-5-9(6-10(8)13)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyLZQMUKBAULMISW-UHFFFAOYSA-N
XLogP3.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 2546024) is N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is Cc1ccc(NC2=NC(C)(C)CS2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is LZQMUKBAULMISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-8-4-5-9(6-10(8)13)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 254.79 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2546024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).