N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C15H18N2OS2 — CID 114550416

IUPACN-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C15H18N2OS2/c1-15(2)6-5-10(8-15)16-13(18)11-9-20-14(17-11)12-4-3-7-19-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyOHEUQMQCYKYZRR-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.18
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 114550416) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID114550416
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C15H18N2OS2/c1-15(2)6-5-10(8-15)16-13(18)11-9-20-14(17-11)12-4-3-7-19-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyOHEUQMQCYKYZRR-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
N-[2-(aminomethyl)cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119612343
1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158334
N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78956758
N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
CID 115880667
N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 115880619
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46678523
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 10227571
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 114550416) is N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC1(C)CCC(NC(=O)c2csc(-c3cccs3)n2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OHEUQMQCYKYZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-15(2)6-5-10(8-15)16-13(18)11-9-20-14(17-11)12-4-3-7-19-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 306.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114550416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).