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

C13H17ClN4S — CID 114925750

IUPAC5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCCNCc1cc(N(C)Cc2cscn2)ncc1Cl
InChIInChI=1S/C13H17ClN4S/c1-3-15-5-10-4-13(16-6-12(10)14)18(2)7-11-8-19-9-17-11/h4,6,8-9,15H,3,5,7H2,1-2H3
InChIKeyVTKVUOLFOBIEAA-UHFFFAOYSA-N
MW296.83 g/mol
LogP2.94
Rot. Bonds6

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

5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (PubChem CID 114925750) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
PubChem CID114925750
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCCNCc1cc(N(C)Cc2cscn2)ncc1Cl
InChIInChI=1S/C13H17ClN4S/c1-3-15-5-10-4-13(16-6-12(10)14)18(2)7-11-8-19-9-17-11/h4,6,8-9,15H,3,5,7H2,1-2H3
InChIKeyVTKVUOLFOBIEAA-UHFFFAOYSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 105073172
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 62754240
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114925898
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
5-chloro-4-(ethylaminomethyl)-N-methyl-N-phenylpyridin-2-amine
CID 114924976
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (CID 114925750) is 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is CCNCc1cc(N(C)Cc2cscn2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The InChIKey is VTKVUOLFOBIEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-3-15-5-10-4-13(16-6-12(10)14)18(2)7-11-8-19-9-17-11/h4,6,8-9,15H,3,5,7H2,1-2H3.
What are the key properties of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine has a molecular weight of 296.83 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114925750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).