N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide

C15H10N6OS — CID 47050295

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C15H10N6OS/c22-14(10-6-7-11-12(8-10)19-21-18-11)17-15-16-13(20-23-15)9-4-2-1-3-5-9/h1-8H,(H,18,19,21)(H,16,17,20,22)
InChIKeyHYNMTSWZPSDZFS-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.73
Rot. Bonds3

About N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 47050295) has the molecular formula C15H10N6OS and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
PubChem CID47050295
Molecular FormulaC15H10N6OS
Molecular Weight322.35 g/mol
Exact Mass322.06
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C15H10N6OS/c22-14(10-6-7-11-12(8-10)19-21-18-11)17-15-16-13(20-23-15)9-4-2-1-3-5-9/h1-8H,(H,18,19,21)(H,16,17,20,22)
InChIKeyHYNMTSWZPSDZFS-UHFFFAOYSA-N
XLogP2.73
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 86997275
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
4-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 49327440
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
CID 99718268
1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
CID 87010055
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide (CID 47050295) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is HYNMTSWZPSDZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6OS/c22-14(10-6-7-11-12(8-10)19-21-18-11)17-15-16-13(20-23-15)9-4-2-1-3-5-9/h1-8H,(H,18,19,21)(H,16,17,20,22).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 47050295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).