1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide

C17H19N3O2S — CID 60581755

IUPAC1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3(C#N)CCCCC3)sc2c1
InChIInChI=1S/C17H19N3O2S/c1-2-22-12-6-7-13-14(10-12)23-16(19-13)20-15(21)17(11-18)8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,19,20,21)
InChIKeyWOOOEMWTIGOJRL-UHFFFAOYSA-N
MW329.43 g/mol
LogP4.11
Rot. Bonds4

About 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide

1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 60581755) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID60581755
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3(C#N)CCCCC3)sc2c1
InChIInChI=1S/C17H19N3O2S/c1-2-22-12-6-7-13-14(10-12)23-16(19-13)20-15(21)17(11-18)8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,19,20,21)
InChIKeyWOOOEMWTIGOJRL-UHFFFAOYSA-N
XLogP4.11
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 25239419
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943598
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
2,2-dichloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylcyclopropane-1-carboxamide
CID 46665582
6-ethoxy-N-(1-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79518738
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide
CID 7992190
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate
CID 46841924
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (CID 60581755) is 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is CCOc1ccc2nc(NC(=O)C3(C#N)CCCCC3)sc2c1.
What is the InChIKey of 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is WOOOEMWTIGOJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-22-12-6-7-13-14(10-12)23-16(19-13)20-15(21)17(11-18)8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,19,20,21).
What are the key properties of 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60581755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).