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

C19H14Cl2N6OS — CID 43837031

IUPACN-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESCc1nc(NC(=O)c2cccc(-n3cnnn3)c2)sc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H14Cl2N6OS/c1-11-17(8-12-5-6-15(20)16(21)7-12)29-19(23-11)24-18(28)13-3-2-4-14(9-13)27-10-22-25-26-27/h2-7,9-10H,8H2,1H3,(H,23,24,28)
InChIKeyXLVVABOIWNPMEH-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.58
Rot. Bonds5

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

N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 43837031) has the molecular formula C19H14Cl2N6OS and a molecular weight of 445.34 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID43837031
Molecular FormulaC19H14Cl2N6OS
Molecular Weight445.34 g/mol
Exact Mass444.03
IUPAC NameN-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESCc1nc(NC(=O)c2cccc(-n3cnnn3)c2)sc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H14Cl2N6OS/c1-11-17(8-12-5-6-15(20)16(21)7-12)29-19(23-11)24-18(28)13-3-2-4-14(9-13)27-10-22-25-26-27/h2-7,9-10H,8H2,1H3,(H,23,24,28)
InChIKeyXLVVABOIWNPMEH-UHFFFAOYSA-N
XLogP4.58
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 43837019
N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 43837319
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 16549853
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 8883299
1-(5-chloro-2-methylphenyl)-N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methyltriazole-4-carboxamide
CID 43837337
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide (CID 43837031) is N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide is Cc1nc(NC(=O)c2cccc(-n3cnnn3)c2)sc1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is XLVVABOIWNPMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6OS/c1-11-17(8-12-5-6-15(20)16(21)7-12)29-19(23-11)24-18(28)13-3-2-4-14(9-13)27-10-22-25-26-27/h2-7,9-10H,8H2,1H3,(H,23,24,28).
What are the key properties of N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 445.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 43837031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).