N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C9H12N4OS — CID 165351024

IUPACN-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cocn2)s1
InChIInChI=1S/C9H12N4OS/c1-6(2)8-12-13-9(15-8)10-3-7-4-14-5-11-7/h4-6H,3H2,1-2H3,(H,10,13)
InChIKeyZKQLYXVZAFLPTC-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.26
Rot. Bonds4

About N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 165351024) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID165351024
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cocn2)s1
InChIInChI=1S/C9H12N4OS/c1-6(2)8-12-13-9(15-8)10-3-7-4-14-5-11-7/h4-6H,3H2,1-2H3,(H,10,13)
InChIKeyZKQLYXVZAFLPTC-UHFFFAOYSA-N
XLogP2.26
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 165351024) is N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCc2cocn2)s1.
What is the InChIKey of N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZKQLYXVZAFLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6(2)8-12-13-9(15-8)10-3-7-4-14-5-11-7/h4-6H,3H2,1-2H3,(H,10,13).
What are the key properties of N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 224.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-4-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 165351024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).