N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C19H16N6O2S — CID 41360644

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1
InChIInChI=1S/C19H16N6O2S/c1-25-18(22-23-24-25)13-4-2-6-15(8-13)21-19(26)14-5-3-7-17(9-14)27-10-16-11-28-12-20-16/h2-9,11-12H,10H2,1H3,(H,21,26)
InChIKeyBPTQJWDJLSDHMY-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.16
Rot. Bonds6

About N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 41360644) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID41360644
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1
InChIInChI=1S/C19H16N6O2S/c1-25-18(22-23-24-25)13-4-2-6-15(8-13)21-19(26)14-5-3-7-17(9-14)27-10-16-11-28-12-20-16/h2-9,11-12H,10H2,1H3,(H,21,26)
InChIKeyBPTQJWDJLSDHMY-UHFFFAOYSA-N
XLogP3.16
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87008296
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41478904
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86866369
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136517028
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 41360644) is N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is Cn1nnnc1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is BPTQJWDJLSDHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-25-18(22-23-24-25)13-4-2-6-15(8-13)21-19(26)14-5-3-7-17(9-14)27-10-16-11-28-12-20-16/h2-9,11-12H,10H2,1H3,(H,21,26).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 41360644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).