N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide

C11H16N2OS — CID 115880619

IUPACN-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cscn2)C1
InChIInChI=1S/C11H16N2OS/c1-11(2)4-3-8(5-11)13-10(14)9-6-15-7-12-9/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyPPUKGDWKUQHAME-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.45
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide

N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide (PubChem CID 115880619) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide
PubChem CID115880619
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cscn2)C1
InChIInChI=1S/C11H16N2OS/c1-11(2)4-3-8(5-11)13-10(14)9-6-15-7-12-9/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyPPUKGDWKUQHAME-UHFFFAOYSA-N
XLogP2.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
CID 78926012
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
N-(3,3-dimethylcyclopentyl)-4-methylthiophene-3-carboxamide
CID 115881864
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 63049397
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide
CID 114540713
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 114550416
N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide
CID 113345728
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide (CID 115880619) is N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide is CC1(C)CCC(NC(=O)c2cscn2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PPUKGDWKUQHAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2)4-3-8(5-11)13-10(14)9-6-15-7-12-9/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide?
N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115880619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).