N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide

C12H11N5OS — CID 77084211

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCCc1cscn1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H11N5OS/c18-12(13-4-3-9-6-19-7-14-9)8-1-2-10-11(5-8)16-17-15-10/h1-2,5-7H,3-4H2,(H,13,18)(H,15,16,17)
InChIKeyIRSSZROIWCMQJA-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.39
Rot. Bonds4

About N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide

N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 77084211) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide
PubChem CID77084211
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCCc1cscn1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H11N5OS/c18-12(13-4-3-9-6-19-7-14-9)8-1-2-10-11(5-8)16-17-15-10/h1-2,5-7H,3-4H2,(H,13,18)(H,15,16,17)
InChIKeyIRSSZROIWCMQJA-UHFFFAOYSA-N
XLogP1.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 166194965
1-ethyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzotriazole-5-carboxamide
CID 4824050
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 45568619
2H-benzotriazol-5-yl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135926
N-((4-methyl-2-(o-tolyl)thiazol-5-yl)methyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 71795491
N-(2-(2-methylthiazol-4-yl)phenyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 73168660
N-(2-(2-methylthiazol-4-yl)phenyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 73168680
N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 76151106
N-((2-(2-fluorophenyl)-4-methylthiazol-5-yl)methyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 71795539
N-[(4-Methyl-1,2,3-thiadiazol-5-YL)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 91766819
N-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2H-benzotriazole-4-carboxamide
CID 99857185
N-(2,3-dihydro-1H-isoindol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-5-carboxamide
CID 177664302

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide (CID 77084211) is N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide is O=C(NCCc1cscn1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is IRSSZROIWCMQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c18-12(13-4-3-9-6-19-7-14-9)8-1-2-10-11(5-8)16-17-15-10/h1-2,5-7H,3-4H2,(H,13,18)(H,15,16,17).
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide?
N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 77084211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).