3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine

C12H15ClN4S — CID 62282315

IUPAC3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)Cc2cscn2)c(Cl)c1
InChIInChI=1S/C12H15ClN4S/c1-14-4-9-3-11(13)12(15-5-9)17(2)6-10-7-18-8-16-10/h3,5,7-8,14H,4,6H2,1-2H3
InChIKeyJVECYAWXNMIQSL-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.55
Rot. Bonds5

About 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine

3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (PubChem CID 62282315) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
PubChem CID62282315
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)Cc2cscn2)c(Cl)c1
InChIInChI=1S/C12H15ClN4S/c1-14-4-9-3-11(13)12(15-5-9)17(2)6-10-7-18-8-16-10/h3,5,7-8,14H,4,6H2,1-2H3
InChIKeyJVECYAWXNMIQSL-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 80636496
3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55054537
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282140
N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55040318
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62281580
4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925749
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283013
5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 55013948

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (CID 62282315) is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is CNCc1cnc(N(C)Cc2cscn2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The InChIKey is JVECYAWXNMIQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-14-4-9-3-11(13)12(15-5-9)17(2)6-10-7-18-8-16-10/h3,5,7-8,14H,4,6H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine has a molecular weight of 282.80 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62282315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).