N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C11H13ClN2S — CID 43440055

IUPACN-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)cc1NC1=NCC(C)S1
InChIInChI=1S/C11H13ClN2S/c1-7-3-4-9(12)5-10(7)14-11-13-6-8(2)15-11/h3-5,8H,6H2,1-2H3,(H,13,14)
InChIKeyRFODMVKDIJVSCC-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.55
Rot. Bonds1

About N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440055) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440055
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC NameN-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)cc1NC1=NCC(C)S1
InChIInChI=1S/C11H13ClN2S/c1-7-3-4-9(12)5-10(7)14-11-13-6-8(2)15-11/h3-5,8H,6H2,1-2H3,(H,13,14)
InChIKeyRFODMVKDIJVSCC-UHFFFAOYSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439673
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107791746
N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2826648
N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 22295019
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499430
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296598
N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550272
N-(5-chloro-2-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526952
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81289779
N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285015

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43440055) is N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(Cl)cc1NC1=NCC(C)S1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RFODMVKDIJVSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-7-3-4-9(12)5-10(7)14-11-13-6-8(2)15-11/h3-5,8H,6H2,1-2H3,(H,13,14).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 240.76 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).