N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide

C13H21N3OS — CID 47350810

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2cnns2)C1
InChIInChI=1S/C13H21N3OS/c1-8(2)10-5-4-9(3)6-11(10)15-13(17)12-7-14-16-18-12/h7-11H,4-6H2,1-3H3,(H,15,17)
InChIKeyBSVMZVKLZJBGPP-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.73
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide

N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide (PubChem CID 47350810) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
PubChem CID47350810
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2cnns2)C1
InChIInChI=1S/C13H21N3OS/c1-8(2)10-5-4-9(3)6-11(10)15-13(17)12-7-14-16-18-12/h7-11H,4-6H2,1-3H3,(H,15,17)
InChIKeyBSVMZVKLZJBGPP-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
CID 80536614
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 63997417
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340
N-(5-methyl-2-propan-2-ylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47234721
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
2-(2-aminoethyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625820
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614
N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-indazole-7-carboxamide
CID 60547804
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide (CID 47350810) is N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide is CC1CCC(C(C)C)C(NC(=O)c2cnns2)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide?
The InChIKey is BSVMZVKLZJBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8(2)10-5-4-9(3)6-11(10)15-13(17)12-7-14-16-18-12/h7-11H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide?
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47350810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).