trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide

C13H14N2OS — CID 7742031

IUPACtrans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
SMILESCc1nc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2s1
InChIInChI=1S/C13H14N2OS/c1-7-5-10(7)13(16)15-9-3-4-11-12(6-9)17-8(2)14-11/h3-4,6-7,10H,5H2,1-2H3,(H,15,16)/t7-,10-/m0/s1
InChIKeyWFBKSTPNTQCZPU-XVKPBYJWSA-N
MW246.33 g/mol
LogP3.20
Rot. Bonds2

About trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 7742031) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
PubChem CID7742031
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Nametrans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
SMILESCc1nc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2s1
InChIInChI=1S/C13H14N2OS/c1-7-5-10(7)13(16)15-9-3-4-11-12(6-9)17-8(2)14-11/h3-4,6-7,10H,5H2,1-2H3,(H,15,16)/t7-,10-/m0/s1
InChIKeyWFBKSTPNTQCZPU-XVKPBYJWSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide
CID 163723632
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide
CID 167830807
5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide
CID 75118963
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide (CID 7742031) is trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide is Cc1nc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2s1.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is WFBKSTPNTQCZPU-XVKPBYJWSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-7-5-10(7)13(16)15-9-3-4-11-12(6-9)17-8(2)14-11/h3-4,6-7,10H,5H2,1-2H3,(H,15,16)/t7-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7742031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).