N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide

C11H17N3OS — CID 7576734

IUPACN-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1snnc1C
InChIInChI=1S/C11H17N3OS/c1-3-6-14(7-9-4-5-9)11(15)10-8(2)12-13-16-10/h9H,3-7H2,1-2H3
InChIKeySBNWXLGKTJLYER-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.11
Rot. Bonds5

About N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide

N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide (PubChem CID 7576734) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
PubChem CID7576734
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1snnc1C
InChIInChI=1S/C11H17N3OS/c1-3-6-14(7-9-4-5-9)11(15)10-8(2)12-13-16-10/h9H,3-7H2,1-2H3
InChIKeySBNWXLGKTJLYER-UHFFFAOYSA-N
XLogP2.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide (CID 7576734) is N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide is CCCN(CC1CC1)C(=O)c1snnc1C.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide?
The InChIKey is SBNWXLGKTJLYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-6-14(7-9-4-5-9)11(15)10-8(2)12-13-16-10/h9H,3-7H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide?
N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide has a molecular weight of 239.34 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 N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).