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

C10H11ClN2S — CID 14033151

IUPACN-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(Cl)ccc1NC1=NCCS1
InChIInChI=1S/C10H11ClN2S/c1-7-6-8(11)2-3-9(7)13-10-12-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyGTAYXLDODNXXPG-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.16
Rot. Bonds1

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

N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 14033151) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID14033151
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC NameN-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(Cl)ccc1NC1=NCCS1
InChIInChI=1S/C10H11ClN2S/c1-7-6-8(11)2-3-9(7)13-10-12-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyGTAYXLDODNXXPG-UHFFFAOYSA-N
XLogP3.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108511829
N-(2,5-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068132
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068100
N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81275151
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylbenzonitrile
CID 62103967
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
N-(3,4-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068216
1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760299
6-chloro-N-(4-chloro-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 114256276
N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
CID 57056849

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 14033151) is N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(Cl)ccc1NC1=NCCS1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GTAYXLDODNXXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-7-6-8(11)2-3-9(7)13-10-12-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.73 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 14033151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).