N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

C14H20N2OS — CID 847062

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C1CCCCC1
InChIInChI=1S/C14H20N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h10H,1-9H2,(H,15,16,17)
InChIKeyBAWVVZPXYFQODF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.54
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide (PubChem CID 847062) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
PubChem CID847062
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C1CCCCC1
InChIInChI=1S/C14H20N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h10H,1-9H2,(H,15,16,17)
InChIKeyBAWVVZPXYFQODF-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119277026
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 119300571
3-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
CID 119743805
1-(cyclopropanecarbonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 26067271
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide
CID 56675559
9-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984606
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
(2R,5S)-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945089
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 54968732
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 102554241
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 114996558
cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide (CID 847062) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nc2c(s1)CCCC2)C1CCCCC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is BAWVVZPXYFQODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h10H,1-9H2,(H,15,16,17).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 847062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).