N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide

C13H21N3OS — CID 70607037

IUPACN-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCCC(C)C1
InChIInChI=1S/C13H21N3OS/c1-3-5-11-12(18-16-15-11)13(17)14-10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyZXOYKQGLOZWYHR-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.80
Rot. Bonds4

About N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide

N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 70607037) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide
PubChem CID70607037
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCCC(C)C1
InChIInChI=1S/C13H21N3OS/c1-3-5-11-12(18-16-15-11)13(17)14-10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyZXOYKQGLOZWYHR-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide (CID 70607037) is N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1CCCC(C)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is ZXOYKQGLOZWYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-5-11-12(18-16-15-11)13(17)14-10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide?
N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 70607037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).