2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine

C9H9N3OS — CID 106921453

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
SMILESCc1coc(Sc2ncccc2N)n1
InChIInChI=1S/C9H9N3OS/c1-6-5-13-9(12-6)14-8-7(10)3-2-4-11-8/h2-5H,10H2,1H3
InChIKeyCWXMJFOUOXQZMD-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.11
Rot. Bonds2

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine (PubChem CID 106921453) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
PubChem CID106921453
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
SMILESCc1coc(Sc2ncccc2N)n1
InChIInChI=1S/C9H9N3OS/c1-6-5-13-9(12-6)14-8-7(10)3-2-4-11-8/h2-5H,10H2,1H3
InChIKeyCWXMJFOUOXQZMD-UHFFFAOYSA-N
XLogP2.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine (CID 106921453) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine is Cc1coc(Sc2ncccc2N)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine?
The InChIKey is CWXMJFOUOXQZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-5-13-9(12-6)14-8-7(10)3-2-4-11-8/h2-5H,10H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine has a molecular weight of 207.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 106921453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).