5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C10H13N5O2S — CID 102790693

IUPAC5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CCCc2csc(N)n2)n1
InChIInChI=1S/C10H13N5O2S/c1-12-9(16)8-14-7(17-15-8)4-2-3-6-5-18-10(11)13-6/h5H,2-4H2,1H3,(H2,11,13)(H,12,16)
InChIKeyWHTFGSAUWLSCGT-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.64
Rot. Bonds5

About 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790693) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790693
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CCCc2csc(N)n2)n1
InChIInChI=1S/C10H13N5O2S/c1-12-9(16)8-14-7(17-15-8)4-2-3-6-5-18-10(11)13-6/h5H,2-4H2,1H3,(H2,11,13)(H,12,16)
InChIKeyWHTFGSAUWLSCGT-UHFFFAOYSA-N
XLogP0.64
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 102790693) is 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CCCc2csc(N)n2)n1.
What is the InChIKey of 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WHTFGSAUWLSCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-12-9(16)8-14-7(17-15-8)4-2-3-6-5-18-10(11)13-6/h5H,2-4H2,1H3,(H2,11,13)(H,12,16).
What are the key properties of 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).