N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide

C16H14N2OS — CID 3154693

IUPACN-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2OS/c1-11-18-14-8-7-13(9-15(14)20-11)16(19)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZDNFZZJAPWNVLB-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.53
Rot. Bonds3

About N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide

N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 3154693) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID3154693
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2OS/c1-11-18-14-8-7-13(9-15(14)20-11)16(19)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZDNFZZJAPWNVLB-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 28934838
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68765772
2-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]ethanesulfinic acid
CID 145100847
N-benzyl-2-[(4-hydroxycyclohexyl)amino]-1,3-benzothiazole-6-carboxamide
CID 117091557
N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6624557
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
4-amino-N-benzyl-2-methylquinoline-6-carboxamide
CID 15133405
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methylbenzamide
CID 3439806
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide (CID 3154693) is N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)NCc3ccccc3)cc2s1.
What is the InChIKey of N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZDNFZZJAPWNVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-18-14-8-7-13(9-15(14)20-11)16(19)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide?
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 3154693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).