N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide

C13H19N7OS — CID 51043260

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2CCC(Cn3cnnn3)CC2)s1
InChIInChI=1S/C13H19N7OS/c1-2-11-16-17-13(22-11)15-12(21)10-5-3-9(4-6-10)7-20-8-14-18-19-20/h8-10H,2-7H2,1H3,(H,15,17,21)
InChIKeyXKVDTHQHKPTILZ-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.53
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 51043260) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
PubChem CID51043260
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2CCC(Cn3cnnn3)CC2)s1
InChIInChI=1S/C13H19N7OS/c1-2-11-16-17-13(22-11)15-12(21)10-5-3-9(4-6-10)7-20-8-14-18-19-20/h8-10H,2-7H2,1H3,(H,15,17,21)
InChIKeyXKVDTHQHKPTILZ-UHFFFAOYSA-N
XLogP1.53
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 121240934
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)acetamide
CID 17562822
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 6465480
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17019477
(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40855936
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40855937
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
CID 45491941
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
CID 45492094
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
CID 45493855
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
CID 45495106
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
CID 45495809
N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51043024

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide (CID 51043260) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide is CCc1nnc(NC(=O)C2CCC(Cn3cnnn3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is XKVDTHQHKPTILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-2-11-16-17-13(22-11)15-12(21)10-5-3-9(4-6-10)7-20-8-14-18-19-20/h8-10H,2-7H2,1H3,(H,15,17,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51043260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).