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

C15H23N7OS — CID 51043024

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCC(C)c1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1
InChIInChI=1S/C15H23N7OS/c1-11(2)13-18-19-14(24-13)17-12(23)8-15(6-4-3-5-7-15)9-22-10-16-20-21-22/h10-11H,3-9H2,1-2H3,(H,17,19,23)
InChIKeyHGPFKEOFFKUYDP-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.63
Rot. Bonds6

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 51043024) has the molecular formula C15H23N7OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID51043024
Molecular FormulaC15H23N7OS
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCC(C)c1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1
InChIInChI=1S/C15H23N7OS/c1-11(2)13-18-19-14(24-13)17-12(23)8-15(6-4-3-5-7-15)9-22-10-16-20-21-22/h10-11H,3-9H2,1-2H3,(H,17,19,23)
InChIKeyHGPFKEOFFKUYDP-UHFFFAOYSA-N
XLogP2.63
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 51043024) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is CC(C)c1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is HGPFKEOFFKUYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7OS/c1-11(2)13-18-19-14(24-13)17-12(23)8-15(6-4-3-5-7-15)9-22-10-16-20-21-22/h10-11H,3-9H2,1-2H3,(H,17,19,23).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 51043024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).