N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide

C18H16N6OS — CID 9398603

IUPACN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H16N6OS/c1-12(17-20-15-8-3-4-9-16(15)26-17)23(2)18(25)13-6-5-7-14(10-13)24-11-19-21-22-24/h3-12H,1-2H3/t12-/m1/s1
InChIKeyDCZUSUJFUIHKOK-GFCCVEGCSA-N
MW364.43 g/mol
LogP3.11
Rot. Bonds4

About N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide (PubChem CID 9398603) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide
PubChem CID9398603
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H16N6OS/c1-12(17-20-15-8-3-4-9-16(15)26-17)23(2)18(25)13-6-5-7-14(10-13)24-11-19-21-22-24/h3-12H,1-2H3/t12-/m1/s1
InChIKeyDCZUSUJFUIHKOK-GFCCVEGCSA-N
XLogP3.11
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 39965479
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 51127257
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylnaphthalene-2-carboxamide
CID 8820294
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,4-dichloro-N-methylbenzamide
CID 8820373
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 41104946
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9469630
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391439
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 45354760
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-N-methylpyridine-3-carboxamide
CID 9406160
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 9406136
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(4-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 25493934
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 41187941

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide (CID 9398603) is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide is C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is DCZUSUJFUIHKOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-12(17-20-15-8-3-4-9-16(15)26-17)23(2)18(25)13-6-5-7-14(10-13)24-11-19-21-22-24/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 364.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 9398603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).