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

C11H13ClN2OS — CID 43439866

IUPACN-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1NC1=NC(C)CS1
InChIInChI=1S/C11H13ClN2OS/c1-7-6-16-11(13-7)14-9-5-8(12)3-4-10(9)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyDQPPDPZOCNTALF-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.25
Rot. Bonds2

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

N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439866) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439866
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1NC1=NC(C)CS1
InChIInChI=1S/C11H13ClN2OS/c1-7-6-16-11(13-7)14-9-5-8(12)3-4-10(9)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyDQPPDPZOCNTALF-UHFFFAOYSA-N
XLogP3.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-chlorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81274901
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296598
N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107607250
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164957
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036614
(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345411
N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941779
N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440032
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 7059302

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439866) is N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(Cl)cc1NC1=NC(C)CS1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DQPPDPZOCNTALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7-6-16-11(13-7)14-9-5-8(12)3-4-10(9)15-2/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.76 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).