N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine

C12H15N3S — CID 115735496

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine
SMILESCCc1ncc(CNc2ncccc2C)s1
InChIInChI=1S/C12H15N3S/c1-3-11-14-7-10(16-11)8-15-12-9(2)5-4-6-13-12/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeySHWLYDCOITYIHU-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.02
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine (PubChem CID 115735496) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine
PubChem CID115735496
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine
SMILESCCc1ncc(CNc2ncccc2C)s1
InChIInChI=1S/C12H15N3S/c1-3-11-14-7-10(16-11)8-15-12-9(2)5-4-6-13-12/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeySHWLYDCOITYIHU-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
3-methyl-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 115735497
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 103853555
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 60982261
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883751
3-methyl-N-[(3-methylfuran-2-yl)methyl]pyridin-2-amine
CID 115735488

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine (CID 115735496) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine is CCc1ncc(CNc2ncccc2C)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine?
The InChIKey is SHWLYDCOITYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-11-14-7-10(16-11)8-15-12-9(2)5-4-6-13-12/h4-7H,3,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 115735496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).