N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H14N4OS — CID 65277068

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1cc(CNc2nc(C(C)C)ns2)no1
InChIInChI=1S/C10H14N4OS/c1-6(2)9-12-10(16-14-9)11-5-8-4-7(3)15-13-8/h4,6H,5H2,1-3H3,(H,11,12,14)
InChIKeyIAYNZOKXNAGYDG-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.57
Rot. Bonds4

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

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65277068) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65277068
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1cc(CNc2nc(C(C)C)ns2)no1
InChIInChI=1S/C10H14N4OS/c1-6(2)9-12-10(16-14-9)11-5-8-4-7(3)15-13-8/h4,6H,5H2,1-3H3,(H,11,12,14)
InChIKeyIAYNZOKXNAGYDG-UHFFFAOYSA-N
XLogP2.57
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65277068) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is Cc1cc(CNc2nc(C(C)C)ns2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is IAYNZOKXNAGYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(2)9-12-10(16-14-9)11-5-8-4-7(3)15-13-8/h4,6H,5H2,1-3H3,(H,11,12,14).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 238.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).