4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine

C11H13N3OS — CID 106925657

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCc1nc(SCc2ccnc(N)c2)oc1C
InChIInChI=1S/C11H13N3OS/c1-7-8(2)15-11(14-7)16-6-9-3-4-13-10(12)5-9/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyWFLUDPCSCLRVNO-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.56
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 106925657) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID106925657
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCc1nc(SCc2ccnc(N)c2)oc1C
InChIInChI=1S/C11H13N3OS/c1-7-8(2)15-11(14-7)16-6-9-3-4-13-10(12)5-9/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyWFLUDPCSCLRVNO-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62467489
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106922275
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-fluorophenyl]boronic acid
CID 106924390
4-chloro-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106922285
S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine
CID 143465794
4-(4,5-dimethyl-1,3-oxazol-2-yl)pyridin-2-amine
CID 96625394
4-[(4-tert-butylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62468024
4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467659
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 106925655
4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
CID 62468388
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106926190
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-morpholin-4-ylpyridin-2-amine
CID 58110390

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine (CID 106925657) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine is Cc1nc(SCc2ccnc(N)c2)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is WFLUDPCSCLRVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-8(2)15-11(14-7)16-6-9-3-4-13-10(12)5-9/h3-5H,6H2,1-2H3,(H2,12,13).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 106925657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).