N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide

C18H14N4OS — CID 650408

IUPACN-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccs1
InChIInChI=1S/C18H14N4OS/c1-12-10-15-16(21-22(20-15)13-6-3-2-4-7-13)11-14(12)19-18(23)17-8-5-9-24-17/h2-11H,1H3,(H,19,23)
InChIKeyXEBRNERQSCQYKA-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.04
Rot. Bonds3

About N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide

N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide (PubChem CID 650408) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide
PubChem CID650408
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccs1
InChIInChI=1S/C18H14N4OS/c1-12-10-15-16(21-22(20-15)13-6-3-2-4-7-13)11-14(12)19-18(23)17-8-5-9-24-17/h2-11H,1H3,(H,19,23)
InChIKeyXEBRNERQSCQYKA-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide (CID 650408) is N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide is Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccs1.
What is the InChIKey of N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide?
The InChIKey is XEBRNERQSCQYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-10-15-16(21-22(20-15)13-6-3-2-4-7-13)11-14(12)19-18(23)17-8-5-9-24-17/h2-11H,1H3,(H,19,23).
What are the key properties of N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide?
N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-phenylbenzotriazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 650408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).