5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine

C9H9N3S — CID 115375039

IUPAC5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cncc(-c2cnc(N)s2)c1
InChIInChI=1S/C9H9N3S/c1-6-2-7(4-11-3-6)8-5-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKeyJMKBHQNUYCQUKU-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.10
Rot. Bonds1

About 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine

5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 115375039) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
PubChem CID115375039
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cncc(-c2cnc(N)s2)c1
InChIInChI=1S/C9H9N3S/c1-6-2-7(4-11-3-6)8-5-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKeyJMKBHQNUYCQUKU-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine (CID 115375039) is 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine is Cc1cncc(-c2cnc(N)s2)c1.
What is the InChIKey of 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is JMKBHQNUYCQUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-6-2-7(4-11-3-6)8-5-12-9(10)13-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115375039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).