N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide

C18H16N6OS — CID 51127257

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
SMILESCC(CNC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2s1
InChIInChI=1S/C18H16N6OS/c1-12(18-21-15-7-2-3-8-16(15)26-18)10-19-17(25)13-5-4-6-14(9-13)24-11-20-22-23-24/h2-9,11-12H,10H2,1H3,(H,19,25)
InChIKeyHKUVTHDIODJCHH-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide

N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 51127257) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
PubChem CID51127257
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
SMILESCC(CNC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2s1
InChIInChI=1S/C18H16N6OS/c1-12(18-21-15-7-2-3-8-16(15)26-18)10-19-17(25)13-5-4-6-14(9-13)24-11-20-22-23-24/h2-9,11-12H,10H2,1H3,(H,19,25)
InChIKeyHKUVTHDIODJCHH-UHFFFAOYSA-N
XLogP2.81
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 9398603
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-methyl-4-nitrobenzamide
CID 86858155
N-[2-(1,3-benzothiazol-2-yl)propyl]-6-chloropyridine-3-carboxamide
CID 86858161
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97235757
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86860575
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 51126901
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86860597

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide (CID 51127257) is N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide is CC(CNC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is HKUVTHDIODJCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-12(18-21-15-7-2-3-8-16(15)26-18)10-19-17(25)13-5-4-6-14(9-13)24-11-20-22-23-24/h2-9,11-12H,10H2,1H3,(H,19,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 364.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51127257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).