N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide

C14H11N7OS — CID 74238022

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1ccn2nnnc2c1
InChIInChI=1S/C14H11N7OS/c1-20(8-9-2-3-11-12(6-9)17-23-16-11)14(22)10-4-5-21-13(7-10)15-18-19-21/h2-7H,8H2,1H3
InChIKeyMQRXUYLKHATQGI-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.40
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 74238022) has the molecular formula C14H11N7OS and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID74238022
Molecular FormulaC14H11N7OS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1ccn2nnnc2c1
InChIInChI=1S/C14H11N7OS/c1-20(8-9-2-3-11-12(6-9)17-23-16-11)14(22)10-4-5-21-13(7-10)15-18-19-21/h2-7H,8H2,1H3
InChIKeyMQRXUYLKHATQGI-UHFFFAOYSA-N
XLogP1.40
TPSA89.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 119074020
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 77087258
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 74248399
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 74238358
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea
CID 121497601
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72925004
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 97122400
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423596
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423595
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
CID 74237565
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-(1-propylcyclopropyl)urea
CID 122568541
1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(3R)-hexan-3-yl]-1-methylurea
CID 125435542

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide (CID 74238022) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide is CN(Cc1ccc2nsnc2c1)C(=O)c1ccn2nnnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is MQRXUYLKHATQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7OS/c1-20(8-9-2-3-11-12(6-9)17-23-16-11)14(22)10-4-5-21-13(7-10)15-18-19-21/h2-7H,8H2,1H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 74238022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).