4-methyl-N,N-dipropylthiadiazole-5-carboxamide

C10H17N3OS — CID 7576665

IUPAC4-methyl-N,N-dipropylthiadiazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1snnc1C
InChIInChI=1S/C10H17N3OS/c1-4-6-13(7-5-2)10(14)9-8(3)11-12-15-9/h4-7H2,1-3H3
InChIKeyKRHYIHKKFSQDRU-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.11
Rot. Bonds5

About 4-methyl-N,N-dipropylthiadiazole-5-carboxamide

4-methyl-N,N-dipropylthiadiazole-5-carboxamide (PubChem CID 7576665) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-methyl-N,N-dipropylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N,N-dipropylthiadiazole-5-carboxamide
PubChem CID7576665
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-methyl-N,N-dipropylthiadiazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1snnc1C
InChIInChI=1S/C10H17N3OS/c1-4-6-13(7-5-2)10(14)9-8(3)11-12-15-9/h4-7H2,1-3H3
InChIKeyKRHYIHKKFSQDRU-UHFFFAOYSA-N
XLogP2.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-dipropylthiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N,N-dipropylthiadiazole-5-carboxamide (CID 7576665) is 4-methyl-N,N-dipropylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N,N-dipropylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N,N-dipropylthiadiazole-5-carboxamide is CCCN(CCC)C(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N,N-dipropylthiadiazole-5-carboxamide?
The InChIKey is KRHYIHKKFSQDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-6-13(7-5-2)10(14)9-8(3)11-12-15-9/h4-7H2,1-3H3.
What are the key properties of 4-methyl-N,N-dipropylthiadiazole-5-carboxamide?
4-methyl-N,N-dipropylthiadiazole-5-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-dipropylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).