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

C13H18N4OS — CID 133428506

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1cnc(CNc2nc(C3CC3)ns2)o1
InChIInChI=1S/C13H18N4OS/c1-13(2,3)9-6-14-10(18-9)7-15-12-16-11(17-19-12)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyZNNUCNKPNXVHNE-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.31
Rot. Bonds4

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

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 133428506) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID133428506
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1cnc(CNc2nc(C3CC3)ns2)o1
InChIInChI=1S/C13H18N4OS/c1-13(2,3)9-6-14-10(18-9)7-15-12-16-11(17-19-12)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyZNNUCNKPNXVHNE-UHFFFAOYSA-N
XLogP3.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 133428506) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is CC(C)(C)c1cnc(CNc2nc(C3CC3)ns2)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZNNUCNKPNXVHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-13(2,3)9-6-14-10(18-9)7-15-12-16-11(17-19-12)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 278.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133428506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).