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

C11H13N3S — CID 115916459

IUPAC3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
SMILESCc1cccnc1NC(C)c1cncs1
InChIInChI=1S/C11H13N3S/c1-8-4-3-5-13-11(8)14-9(2)10-6-12-7-15-10/h3-7,9H,1-2H3,(H,13,14)
InChIKeyVNJOKROCBDQDBJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.02
Rot. Bonds3

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

3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 115916459) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
PubChem CID115916459
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
SMILESCc1cccnc1NC(C)c1cncs1
InChIInChI=1S/C11H13N3S/c1-8-4-3-5-13-11(8)14-9(2)10-6-12-7-15-10/h3-7,9H,1-2H3,(H,13,14)
InChIKeyVNJOKROCBDQDBJ-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 115928670
N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916957
3-methyl-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 115735497
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106
N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine
CID 166378482
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-8-amine
CID 113354954
4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 115916628
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine
CID 115925880
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648389
2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 99802723
N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 114955153

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine (CID 115916459) is 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine is Cc1cccnc1NC(C)c1cncs1.
What is the InChIKey of 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is VNJOKROCBDQDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-4-3-5-13-11(8)14-9(2)10-6-12-7-15-10/h3-7,9H,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine?
3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 219.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115916459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).