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

C18H15N5OS — CID 90546526

IUPACN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C18H15N5OS/c1-11-16(25-18(20-11)12-5-3-2-4-6-12)10-19-17(24)13-7-8-14-15(9-13)22-23-21-14/h2-9H,10H2,1H3,(H,19,24)(H,21,22,23)
InChIKeyBSVVCZZNOPFTNJ-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.32
Rot. Bonds4

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

N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 90546526) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
PubChem CID90546526
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C18H15N5OS/c1-11-16(25-18(20-11)12-5-3-2-4-6-12)10-19-17(24)13-7-8-14-15(9-13)22-23-21-14/h2-9H,10H2,1H3,(H,19,24)(H,21,22,23)
InChIKeyBSVVCZZNOPFTNJ-UHFFFAOYSA-N
XLogP3.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.32
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
Benzo[c][1,2,5]thiadiazol-5-yl(4-((4-(4-fluorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)methanone
CID 45502206
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 45568619
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-ethylbenzotriazole-5-carboxamide
CID 47024500
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-chlorophenyl)-4-methylthiazol-5-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 71795612
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-((4-methyl-2-phenylthiazol-5-yl)methyl)quinoxaline-6-carboxamide
CID 90546538

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide (CID 90546526) is N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is BSVVCZZNOPFTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-11-16(25-18(20-11)12-5-3-2-4-6-12)10-19-17(24)13-7-8-14-15(9-13)22-23-21-14/h2-9H,10H2,1H3,(H,19,24)(H,21,22,23).
What are the key properties of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 90546526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).