1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine

C13H17N3OS — CID 106927161

IUPAC1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
SMILESCc1nc(Sc2ccc(CC(C)N)cn2)oc1C
InChIInChI=1S/C13H17N3OS/c1-8(14)6-11-4-5-12(15-7-11)18-13-16-9(2)10(3)17-13/h4-5,7-8H,6,14H2,1-3H3
InChIKeyHYIYWAQCFRWYOC-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.73
Rot. Bonds4

About 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine

1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine (PubChem CID 106927161) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
PubChem CID106927161
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
SMILESCc1nc(Sc2ccc(CC(C)N)cn2)oc1C
InChIInChI=1S/C13H17N3OS/c1-8(14)6-11-4-5-12(15-7-11)18-13-16-9(2)10(3)17-13/h4-5,7-8H,6,14H2,1-3H3
InChIKeyHYIYWAQCFRWYOC-UHFFFAOYSA-N
XLogP2.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106926747
N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 106926746
1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 80651384
1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
CID 80644829
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80645106
1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 106927164
1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 107783670
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651798
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928865
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine (CID 106927161) is 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine is Cc1nc(Sc2ccc(CC(C)N)cn2)oc1C.
What is the InChIKey of 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine?
The InChIKey is HYIYWAQCFRWYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(14)6-11-4-5-12(15-7-11)18-13-16-9(2)10(3)17-13/h4-5,7-8H,6,14H2,1-3H3.
What are the key properties of 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine?
1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 106927161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).