N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine

C13H18N4S — CID 55075130

IUPACN-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine
SMILESCCNc1cc(CN(C)Cc2cscn2)ccn1
InChIInChI=1S/C13H18N4S/c1-3-14-13-6-11(4-5-15-13)7-17(2)8-12-9-18-10-16-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyVBMHIOWYUCAGJV-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.60
Rot. Bonds6

About N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine

N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine (PubChem CID 55075130) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine
PubChem CID55075130
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine
SMILESCCNc1cc(CN(C)Cc2cscn2)ccn1
InChIInChI=1S/C13H18N4S/c1-3-14-13-6-11(4-5-15-13)7-17(2)8-12-9-18-10-16-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyVBMHIOWYUCAGJV-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
N-ethyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075650
N-ethyl-4-[[furan-2-ylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62471347
4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81074834
2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
CID 62472420
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62464531
1-(4-hydrazinyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 79259170
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184037
1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 47014021
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 54942854
N-ethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55228180

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine (CID 55075130) is N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine is CCNc1cc(CN(C)Cc2cscn2)ccn1.
What is the InChIKey of N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine?
The InChIKey is VBMHIOWYUCAGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-14-13-6-11(4-5-15-13)7-17(2)8-12-9-18-10-16-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine?
N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 55075130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).