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

C10H10BrN3OS — CID 106921722

IUPAC5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
SMILESCc1nc(Sc2c(N)cncc2Br)oc1C
InChIInChI=1S/C10H10BrN3OS/c1-5-6(2)15-10(14-5)16-9-7(11)3-13-4-8(9)12/h3-4H,12H2,1-2H3
InChIKeyXJGKPGXLOILCMI-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.18
Rot. Bonds2

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

5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine (PubChem CID 106921722) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
PubChem CID106921722
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
SMILESCc1nc(Sc2c(N)cncc2Br)oc1C
InChIInChI=1S/C10H10BrN3OS/c1-5-6(2)15-10(14-5)16-9-7(11)3-13-4-8(9)12/h3-4H,12H2,1-2H3
InChIKeyXJGKPGXLOILCMI-UHFFFAOYSA-N
XLogP3.18
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine?
The IUPAC name of 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine (CID 106921722) is 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine is Cc1nc(Sc2c(N)cncc2Br)oc1C.
What is the InChIKey of 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine?
The InChIKey is XJGKPGXLOILCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-5-6(2)15-10(14-5)16-9-7(11)3-13-4-8(9)12/h3-4H,12H2,1-2H3.
What are the key properties of 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine?
5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine has a molecular weight of 300.18 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 106921722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).