N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C15H21ClN2OS — CID 106351151

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1cc(Cl)c(C)cc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C15H21ClN2OS/c1-9(2)12-5-6-20-15(17-12)18-13-7-10(3)11(16)8-14(13)19-4/h7-9,12H,5-6H2,1-4H3,(H,17,18)
InChIKeyDEXOZXHNKMZRCK-UHFFFAOYSA-N
MW312.87 g/mol
LogP4.59
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351151) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351151
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1cc(Cl)c(C)cc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C15H21ClN2OS/c1-9(2)12-5-6-20-15(17-12)18-13-7-10(3)11(16)8-14(13)19-4/h7-9,12H,5-6H2,1-4H3,(H,17,18)
InChIKeyDEXOZXHNKMZRCK-UHFFFAOYSA-N
XLogP4.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-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-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068100
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
(4S)-N-(2,5-dichloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114983249
N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177114
N-(2-bromo-5-chloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858130
4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351686
4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351748
N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187934
4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
CID 43191804
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556110
4-tert-butyl-N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351205
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351151) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1cc(Cl)c(C)cc1NC1=NC(C(C)C)CCS1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DEXOZXHNKMZRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-9(2)12-5-6-20-15(17-12)18-13-7-10(3)11(16)8-14(13)19-4/h7-9,12H,5-6H2,1-4H3,(H,17,18).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 312.87 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).