N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C10H13N5O2S — CID 81174373

IUPACN-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C10H13N5O2S/c1-2-4-11-10-14-13-9(18-10)8(16)12-6-7-3-5-17-15-7/h3,5H,2,4,6H2,1H3,(H,11,14)(H,12,16)
InChIKeyZKMVKEZOFFIEAC-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.28
Rot. Bonds6

About N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 81174373) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID81174373
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C10H13N5O2S/c1-2-4-11-10-14-13-9(18-10)8(16)12-6-7-3-5-17-15-7/h3,5H,2,4,6H2,1H3,(H,11,14)(H,12,16)
InChIKeyZKMVKEZOFFIEAC-UHFFFAOYSA-N
XLogP1.28
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 81174373) is N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)NCc2ccon2)s1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZKMVKEZOFFIEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-4-11-10-14-13-9(18-10)8(16)12-6-7-3-5-17-15-7/h3,5H,2,4,6H2,1H3,(H,11,14)(H,12,16).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 81174373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).