N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine

C9H9N3S — CID 61285050

IUPACN-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
SMILESc1cc(NCc2nccs2)ccn1
InChIInChI=1S/C9H9N3S/c1-3-10-4-2-8(1)12-7-9-11-5-6-13-9/h1-6H,7H2,(H,10,12)
InChIKeyIYHMMBCZAZGOES-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.15
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine

N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine (PubChem CID 61285050) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
PubChem CID61285050
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC NameN-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
SMILESc1cc(NCc2nccs2)ccn1
InChIInChI=1S/C9H9N3S/c1-3-10-4-2-8(1)12-7-9-11-5-6-13-9/h1-6H,7H2,(H,10,12)
InChIKeyIYHMMBCZAZGOES-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231543
N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
CID 63655785
4-propoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656225
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 164647695
5-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 103823906
4-(1,3-thiazol-2-ylmethylamino)benzenecarboximidamide
CID 70094072
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 63655578
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine (CID 61285050) is N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine is c1cc(NCc2nccs2)ccn1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine?
The InChIKey is IYHMMBCZAZGOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-3-10-4-2-8(1)12-7-9-11-5-6-13-9/h1-6H,7H2,(H,10,12).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine?
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine has a molecular weight of 191.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 61285050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).