N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide

C19H18N2OS — CID 32618876

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3(c4ccccc4)CCC3)sc2c1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-15-16(12-13)23-18(20-15)21-17(22)19(10-5-11-19)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21,22)
InChIKeyOUSQASWAEAQDDL-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.67
Rot. Bonds3

About N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 32618876) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
PubChem CID32618876
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3(c4ccccc4)CCC3)sc2c1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-15-16(12-13)23-18(20-15)21-17(22)19(10-5-11-19)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21,22)
InChIKeyOUSQASWAEAQDDL-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 3266949
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 25239419
N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 60564426
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
CID 115447324
N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60564434
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
trans-(1R,2R)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 742465
1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide
CID 55368428
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide (CID 32618876) is N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide is Cc1ccc2nc(NC(=O)C3(c4ccccc4)CCC3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is OUSQASWAEAQDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-8-9-15-16(12-13)23-18(20-15)21-17(22)19(10-5-11-19)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21,22).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 32618876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).