N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

C18H15ClN2O2S — CID 58554483

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3nc4c(Cl)cccc4s3)CC2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-23-12-7-5-11(6-8-12)18(9-10-18)16(22)21-17-20-15-13(19)3-2-4-14(15)24-17/h2-8H,9-10H2,1H3,(H,20,21,22)
InChIKeyFVDKAEKXRYYNSD-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.63
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 58554483) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID58554483
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3nc4c(Cl)cccc4s3)CC2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-23-12-7-5-11(6-8-12)18(9-10-18)16(22)21-17-20-15-13(19)3-2-4-14(15)24-17/h2-8H,9-10H2,1H3,(H,20,21,22)
InChIKeyFVDKAEKXRYYNSD-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 59232736
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58609977
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
CID 16934023
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2,6-dimethoxybenzamide
CID 3913535
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 11604668
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119271378
N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 59166215
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198551

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 58554483) is N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3nc4c(Cl)cccc4s3)CC2)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is FVDKAEKXRYYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-23-12-7-5-11(6-8-12)18(9-10-18)16(22)21-17-20-15-13(19)3-2-4-14(15)24-17/h2-8H,9-10H2,1H3,(H,20,21,22).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58554483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).