[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine

C11H13N3S2 — CID 80639950

IUPAC[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
SMILESCc1csc(Sc2ncc(CN)cc2C)n1
InChIInChI=1S/C11H13N3S2/c1-7-3-9(4-12)5-13-10(7)16-11-14-8(2)6-15-11/h3,5-6H,4,12H2,1-2H3
InChIKeyCCQXGRIATPZCFY-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.76
Rot. Bonds3

About [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine

[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine (PubChem CID 80639950) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
PubChem CID80639950
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
SMILESCc1csc(Sc2ncc(CN)cc2C)n1
InChIInChI=1S/C11H13N3S2/c1-7-3-9(4-12)5-13-10(7)16-11-14-8(2)6-15-11/h3,5-6H,4,12H2,1-2H3
InChIKeyCCQXGRIATPZCFY-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The IUPAC name of [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine (CID 80639950) is [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The canonical SMILES for [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine is Cc1csc(Sc2ncc(CN)cc2C)n1.
What is the InChIKey of [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The InChIKey is CCQXGRIATPZCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-7-3-9(4-12)5-13-10(7)16-11-14-8(2)6-15-11/h3,5-6H,4,12H2,1-2H3.
What are the key properties of [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 80639950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).