N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide

C18H16N2OS — CID 60564426

IUPACN-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C18H16N2OS/c1-12-5-4-6-13(11-12)18(9-10-18)16(21)20-17-19-14-7-2-3-8-15(14)22-17/h2-8,11H,9-10H2,1H3,(H,19,20,21)
InChIKeySXYYTSMCFSRIDM-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.28
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 60564426) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID60564426
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C18H16N2OS/c1-12-5-4-6-13(11-12)18(9-10-18)16(21)20-17-19-14-7-2-3-8-15(14)22-17/h2-8,11H,9-10H2,1H3,(H,19,20,21)
InChIKeySXYYTSMCFSRIDM-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876
N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60564434
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 3266949
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 115452221
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 25239419
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 17464140
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide (CID 60564426) is N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)Nc3nc4ccccc4s3)CC2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SXYYTSMCFSRIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-12-5-4-6-13(11-12)18(9-10-18)16(21)20-17-19-14-7-2-3-8-15(14)22-17/h2-8,11H,9-10H2,1H3,(H,19,20,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 60564426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).