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

C12H13N3OS — CID 114996370

IUPAC2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CC3N)cc2s1
InChIInChI=1S/C12H13N3OS/c1-6-14-10-3-2-7(4-11(10)17-6)15-12(16)8-5-9(8)13/h2-4,8-9H,5,13H2,1H3,(H,15,16)
InChIKeyVMKTXWKPVMLHEB-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.89
Rot. Bonds2

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

2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 114996370) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
PubChem CID114996370
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CC3N)cc2s1
InChIInChI=1S/C12H13N3OS/c1-6-14-10-3-2-7(4-11(10)17-6)15-12(16)8-5-9(8)13/h2-4,8-9H,5,13H2,1H3,(H,15,16)
InChIKeyVMKTXWKPVMLHEB-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 64822745
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
2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide
CID 167830807

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide (CID 114996370) is 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide is Cc1nc2ccc(NC(=O)C3CC3N)cc2s1.
What is the InChIKey of 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is VMKTXWKPVMLHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-6-14-10-3-2-7(4-11(10)17-6)15-12(16)8-5-9(8)13/h2-4,8-9H,5,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 114996370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).