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

C14H21N7OS — CID 45495809

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCCCCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C14H21N7OS/c1-2-3-7-11-17-18-13(23-11)16-12(22)14(8-5-4-6-9-14)21-10-15-19-20-21/h10H,2-9H2,1H3,(H,16,18,22)
InChIKeyHWYDXIDAPZSXPK-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.17
Rot. Bonds6

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45495809) has the molecular formula C14H21N7OS and a molecular weight of 335.44 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45495809
Molecular FormulaC14H21N7OS
Molecular Weight335.44 g/mol
Exact Mass335.15
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCCCCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C14H21N7OS/c1-2-3-7-11-17-18-13(23-11)16-12(22)14(8-5-4-6-9-14)21-10-15-19-20-21/h10H,2-9H2,1H3,(H,16,18,22)
InChIKeyHWYDXIDAPZSXPK-UHFFFAOYSA-N
XLogP2.17
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45495809) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CCCCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is HWYDXIDAPZSXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7OS/c1-2-3-7-11-17-18-13(23-11)16-12(22)14(8-5-4-6-9-14)21-10-15-19-20-21/h10H,2-9H2,1H3,(H,16,18,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 335.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45495809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).