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

C11H15N3O2S — CID 63049397

IUPACN-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1CCC(NC(=O)c2cscn2)CC1
InChIInChI=1S/C11H15N3O2S/c12-10(15)7-1-3-8(4-2-7)14-11(16)9-5-17-6-13-9/h5-8H,1-4H2,(H2,12,15)(H,14,16)
InChIKeyKCVYLIKTCKSOMY-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.92
Rot. Bonds3

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

N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 63049397) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID63049397
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1CCC(NC(=O)c2cscn2)CC1
InChIInChI=1S/C11H15N3O2S/c12-10(15)7-1-3-8(4-2-7)14-11(16)9-5-17-6-13-9/h5-8H,1-4H2,(H2,12,15)(H,14,16)
InChIKeyKCVYLIKTCKSOMY-UHFFFAOYSA-N
XLogP0.92
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
CID 78926012
N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 115880619
N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 54913899
N-(1-cyclopentylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 110462193
N-cyclopentyloxy-1,3-thiazole-4-carboxamide
CID 83202530
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
N-(1-cyclobutylethyl)-1,3-thiazole-4-carboxamide
CID 115769139
N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 97052502
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 63049397) is N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide is NC(=O)C1CCC(NC(=O)c2cscn2)CC1.
What is the InChIKey of N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KCVYLIKTCKSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-10(15)7-1-3-8(4-2-7)14-11(16)9-5-17-6-13-9/h5-8H,1-4H2,(H2,12,15)(H,14,16).
What are the key properties of N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide?
N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).