N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

C19H13Cl2N5OS — CID 24628808

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H13Cl2N5OS/c20-14-4-1-13(17(21)8-14)7-16-9-23-19(28-16)25-18(27)12-2-5-15(6-3-12)26-11-22-10-24-26/h1-6,8-11H,7H2,(H,23,25,27)
InChIKeyDUDAJTCMKVPPTN-UHFFFAOYSA-N
MW430.32 g/mol
LogP4.87
Rot. Bonds5

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 24628808) has the molecular formula C19H13Cl2N5OS and a molecular weight of 430.32 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID24628808
Molecular FormulaC19H13Cl2N5OS
Molecular Weight430.32 g/mol
Exact Mass429.02
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H13Cl2N5OS/c20-14-4-1-13(17(21)8-14)7-16-9-23-19(28-16)25-18(27)12-2-5-15(6-3-12)26-11-22-10-24-26/h1-6,8-11H,7H2,(H,23,25,27)
InChIKeyDUDAJTCMKVPPTN-UHFFFAOYSA-N
XLogP4.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 24628797
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]-6-imidazol-1-ylpyridine-3-carboxamide
CID 24666723
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]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24628872
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 86944220
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
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]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 25477643
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 16549853
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]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134055846

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (CID 24628808) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DUDAJTCMKVPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5OS/c20-14-4-1-13(17(21)8-14)7-16-9-23-19(28-16)25-18(27)12-2-5-15(6-3-12)26-11-22-10-24-26/h1-6,8-11H,7H2,(H,23,25,27).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 430.32 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 24628808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).