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

C11H13ClN2S — CID 2378239

IUPACN-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccccc2Cl)=N1
InChIInChI=1S/C11H13ClN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyLTTMYELKHGQRAP-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.63
Rot. Bonds1

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

N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 2378239) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID2378239
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC NameN-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccccc2Cl)=N1
InChIInChI=1S/C11H13ClN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyLTTMYELKHGQRAP-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2378238
N-(3-Chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383599
N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2729997
ethyl N'-(2-chlorophenyl)carbamimidothioate
CID 10680179
Mls003115267
CID 317099
N-(3-Chloro-4-fluorophenyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 389115
ethyl N'-(2-chlorophenyl)carbamimidothioate;hydrochloride
CID 45264478
propan-2-yl N-(4-chlorophenyl)-N'-ethylcarbamimidothioate
CID 44574696
n-(3-Chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 280593
N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 934837
N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2423958
5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3116468

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 2378239) is N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2ccccc2Cl)=N1.
What is the InChIKey of N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is LTTMYELKHGQRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 240.76 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2378239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).