2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide

C15H16N6O2S — CID 56902749

IUPAC2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1ncsc1CCN(C)C(=O)c1ccc(-n2cnnn2)cc1O
InChIInChI=1S/C15H16N6O2S/c1-10-14(24-9-16-10)5-6-20(2)15(23)12-4-3-11(7-13(12)22)21-8-17-18-19-21/h3-4,7-9,22H,5-6H2,1-2H3
InChIKeySRFPZPOHKQLEBQ-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.45
Rot. Bonds5

About 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide

2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 56902749) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID56902749
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1ncsc1CCN(C)C(=O)c1ccc(-n2cnnn2)cc1O
InChIInChI=1S/C15H16N6O2S/c1-10-14(24-9-16-10)5-6-20(2)15(23)12-4-3-11(7-13(12)22)21-8-17-18-19-21/h3-4,7-9,22H,5-6H2,1-2H3
InChIKeySRFPZPOHKQLEBQ-UHFFFAOYSA-N
XLogP1.45
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119068240
2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 118779229
N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70747283
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95202696
N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
CID 70748986
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176502332
2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70729016
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 60988731
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide
CID 131939802

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide (CID 56902749) is 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide is Cc1ncsc1CCN(C)C(=O)c1ccc(-n2cnnn2)cc1O.
What is the InChIKey of 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is SRFPZPOHKQLEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-10-14(24-9-16-10)5-6-20(2)15(23)12-4-3-11(7-13(12)22)21-8-17-18-19-21/h3-4,7-9,22H,5-6H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 344.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 56902749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).