N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C14H21N7OS — CID 45492094

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C14H21N7OS/c1-10(2)8-11-17-18-13(23-11)16-12(22)14(6-4-3-5-7-14)21-9-15-19-20-21/h9-10H,3-8H2,1-2H3,(H,16,18,22)
InChIKeyYAENZXQMJGYEOQ-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.02
Rot. Bonds5

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45492094) has the molecular formula C14H21N7OS and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45492094
Molecular FormulaC14H21N7OS
Molecular Weight335.44 g/mol
Exact Mass335.15
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C14H21N7OS/c1-10(2)8-11-17-18-13(23-11)16-12(22)14(6-4-3-5-7-14)21-9-15-19-20-21/h9-10H,3-8H2,1-2H3,(H,16,18,22)
InChIKeyYAENZXQMJGYEOQ-UHFFFAOYSA-N
XLogP2.02
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45492094) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CC(C)Cc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is YAENZXQMJGYEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7OS/c1-10(2)8-11-17-18-13(23-11)16-12(22)14(6-4-3-5-7-14)21-9-15-19-20-21/h9-10H,3-8H2,1-2H3,(H,16,18,22).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 335.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45492094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).