N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C19H25N3O2S — CID 90604299

IUPACN-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCOc1ccc2nc(N3CC(C(=O)NCC4CCCCC4)C3)sc2c1
InChIInChI=1S/C19H25N3O2S/c1-24-15-7-8-16-17(9-15)25-19(21-16)22-11-14(12-22)18(23)20-10-13-5-3-2-4-6-13/h7-9,13-14H,2-6,10-12H2,1H3,(H,20,23)
InChIKeyZNNQKRLEMSAPRH-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.44
Rot. Bonds5

About N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 90604299) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID90604299
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCOc1ccc2nc(N3CC(C(=O)NCC4CCCCC4)C3)sc2c1
InChIInChI=1S/C19H25N3O2S/c1-24-15-7-8-16-17(9-15)25-19(21-16)22-11-14(12-22)18(23)20-10-13-5-3-2-4-6-13/h7-9,13-14H,2-6,10-12H2,1H3,(H,20,23)
InChIKeyZNNQKRLEMSAPRH-UHFFFAOYSA-N
XLogP3.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 90604201
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90604215
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
N-[2-(azepan-1-yl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 156601314
N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604200
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
CID 90604360
N-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604241
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 126478993
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
N-(2,6-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604264
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 90612068
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 90612016

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 90604299) is N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is COc1ccc2nc(N3CC(C(=O)NCC4CCCCC4)C3)sc2c1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is ZNNQKRLEMSAPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-24-15-7-8-16-17(9-15)25-19(21-16)22-11-14(12-22)18(23)20-10-13-5-3-2-4-6-13/h7-9,13-14H,2-6,10-12H2,1H3,(H,20,23).
What are the key properties of N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90604299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).