5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine

C9H9N3S — CID 87629601

IUPAC5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cccnc2)s1
InChIInChI=1S/C9H9N3S/c10-9-12-6-8(13-9)4-7-2-1-3-11-5-7/h1-3,5-6H,4H2,(H2,10,12)
InChIKeyWAGKWLKIFSEKDP-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.71
Rot. Bonds2

About 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine

5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 87629601) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID87629601
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cccnc2)s1
InChIInChI=1S/C9H9N3S/c10-9-12-6-8(13-9)4-7-2-1-3-11-5-7/h1-3,5-6H,4H2,(H2,10,12)
InChIKeyWAGKWLKIFSEKDP-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
5-(pyridin-3-ylmethyl)thiophen-2-amine
CID 131279369
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
5-(pyridin-3-ylmethyl)thiophen-3-amine
CID 82375068
5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 122156846
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde
CID 12904582
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 63334948
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
CID 107800290
5-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774891

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine (CID 87629601) is 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine is Nc1ncc(Cc2cccnc2)s1.
What is the InChIKey of 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is WAGKWLKIFSEKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-9-12-6-8(13-9)4-7-2-1-3-11-5-7/h1-3,5-6H,4H2,(H2,10,12).
What are the key properties of 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 191.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87629601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).