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

C17H11Cl2N5OS — CID 24628797

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H11Cl2N5OS/c18-11-3-1-9(13(19)7-11)5-12-8-20-17(26-12)21-16(25)10-2-4-14-15(6-10)23-24-22-14/h1-4,6-8H,5H2,(H,20,21,25)(H,22,23,24)
InChIKeySIGAWIVMYUXIIE-UHFFFAOYSA-N
MW404.28 g/mol
LogP4.56
Rot. Bonds4

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

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 24628797) has the molecular formula C17H11Cl2N5OS and a molecular weight of 404.28 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
PubChem CID24628797
Molecular FormulaC17H11Cl2N5OS
Molecular Weight404.28 g/mol
Exact Mass403.01
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H11Cl2N5OS/c18-11-3-1-9(13(19)7-11)5-12-8-20-17(26-12)21-16(25)10-2-4-14-15(6-10)23-24-22-14/h1-4,6-8H,5H2,(H,20,21,25)(H,22,23,24)
InChIKeySIGAWIVMYUXIIE-UHFFFAOYSA-N
XLogP4.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24628808
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 25477643
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 24666723
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 55845141
4-(2-cyanoethylsulfamoyl)-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 29363584
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24628872
3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 46485096
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 32628091
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 86944220

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide (CID 24628797) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide is O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is SIGAWIVMYUXIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5OS/c18-11-3-1-9(13(19)7-11)5-12-8-20-17(26-12)21-16(25)10-2-4-14-15(6-10)23-24-22-14/h1-4,6-8H,5H2,(H,20,21,25)(H,22,23,24).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 404.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 24628797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).