2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C13H16F3N7OS — CID 121240934

IUPAC2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C13H16F3N7OS/c14-13(15,16)10-19-20-11(25-10)18-9(24)6-12(4-2-1-3-5-12)7-23-8-17-21-22-23/h8H,1-7H2,(H,18,20,24)
InChIKeyHZYZIWWLJVEKDI-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 121240934) has the molecular formula C13H16F3N7OS and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID121240934
Molecular FormulaC13H16F3N7OS
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C13H16F3N7OS/c14-13(15,16)10-19-20-11(25-10)18-9(24)6-12(4-2-1-3-5-12)7-23-8-17-21-22-23/h8H,1-7H2,(H,18,20,24)
InChIKeyHZYZIWWLJVEKDI-UHFFFAOYSA-N
XLogP2.52
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 121240934) is 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is HZYZIWWLJVEKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N7OS/c14-13(15,16)10-19-20-11(25-10)18-9(24)6-12(4-2-1-3-5-12)7-23-8-17-21-22-23/h8H,1-7H2,(H,18,20,24).
What are the key properties of 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 375.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 121240934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).