1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C14H17ClN2O2S — CID 63626066

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2scnc2C)c(Cl)c1OC
InChIInChI=1S/C14H17ClN2O2S/c1-9-12(20-8-17-9)7-16-6-10-4-5-11(18-2)14(19-3)13(10)15/h4-5,8,16H,6-7H2,1-3H3
InChIKeyOAVVHNUTHXCLMW-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.41
Rot. Bonds6

About 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 63626066) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID63626066
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2scnc2C)c(Cl)c1OC
InChIInChI=1S/C14H17ClN2O2S/c1-9-12(20-8-17-9)7-16-6-10-4-5-11(18-2)14(19-3)13(10)15/h4-5,8,16H,6-7H2,1-3H3
InChIKeyOAVVHNUTHXCLMW-UHFFFAOYSA-N
XLogP3.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 63626229
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 63625015
1-(2-chloro-3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 63625676
1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64988354
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113356209
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63625363
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 103741168
1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 78943729
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664419
1-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630589

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 63626066) is 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is COc1ccc(CNCc2scnc2C)c(Cl)c1OC.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is OAVVHNUTHXCLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-9-12(20-8-17-9)7-16-6-10-4-5-11(18-2)14(19-3)13(10)15/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 312.82 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 63626066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).