N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide

C24H19ClN2OS — CID 59232736

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3c(Cl)cccc3s2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN2OS/c1-23(21(28)27-22-26-20-18(25)13-8-14-19(20)29-22)15-24(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,15H2,1H3,(H,26,27,28)
InChIKeyJULOKARHBWVAEJ-UHFFFAOYSA-N
MW418.95 g/mol
LogP6.28
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide

N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 59232736) has the molecular formula C24H19ClN2OS and a molecular weight of 418.95 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID59232736
Molecular FormulaC24H19ClN2OS
Molecular Weight418.95 g/mol
Exact Mass418.09
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3c(Cl)cccc3s2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN2OS/c1-23(21(28)27-22-26-20-18(25)13-8-14-19(20)29-22)15-24(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,15H2,1H3,(H,26,27,28)
InChIKeyJULOKARHBWVAEJ-UHFFFAOYSA-N
XLogP6.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.95
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohepta-1,4,6-trien-1-yl-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-methyl-2-phenylcyclopropane-1-carboxamide
CID 143671200
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58554483
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 953877
1-(4-chloro-1,3-benzothiazol-2-yl)-3-phenylthiourea
CID 3690824
trans-(1S,2S)-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclopropane-1-carboxylate
CID 7100117
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
CID 18586778
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide (CID 59232736) is N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide is CC1(C(=O)Nc2nc3c(Cl)cccc3s2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is JULOKARHBWVAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2OS/c1-23(21(28)27-22-26-20-18(25)13-8-14-19(20)29-22)15-24(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,15H2,1H3,(H,26,27,28).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 418.95 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 59232736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).