N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide

C18H21N7OS — CID 56763137

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)c(-n2cnnn2)c1C
InChIInChI=1S/C18H21N7OS/c1-11-8-9-14(15(12(11)2)25-10-19-23-24-25)16(26)20-18-22-21-17(27-18)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,20,22,26)
InChIKeyMQHBFDZWDOIUAT-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.43
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide (PubChem CID 56763137) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
PubChem CID56763137
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)c(-n2cnnn2)c1C
InChIInChI=1S/C18H21N7OS/c1-11-8-9-14(15(12(11)2)25-10-19-23-24-25)16(26)20-18-22-21-17(27-18)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,20,22,26)
InChIKeyMQHBFDZWDOIUAT-UHFFFAOYSA-N
XLogP3.43
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide (CID 56763137) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide is Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)c(-n2cnnn2)c1C.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The InChIKey is MQHBFDZWDOIUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-11-8-9-14(15(12(11)2)25-10-19-23-24-25)16(26)20-18-22-21-17(27-18)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,20,22,26).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide has a molecular weight of 383.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 56763137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).