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

C16H25N7OS — CID 51043805

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCCCCc1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1
InChIInChI=1S/C16H25N7OS/c1-2-3-7-14-19-20-15(25-14)18-13(24)10-16(8-5-4-6-9-16)11-23-12-17-21-22-23/h12H,2-11H2,1H3,(H,18,20,24)
InChIKeyMYHYGLQVWKCPHV-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.85
Rot. Bonds8

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 51043805) has the molecular formula C16H25N7OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID51043805
Molecular FormulaC16H25N7OS
Molecular Weight363.49 g/mol
Exact Mass363.18
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCCCCc1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1
InChIInChI=1S/C16H25N7OS/c1-2-3-7-14-19-20-15(25-14)18-13(24)10-16(8-5-4-6-9-16)11-23-12-17-21-22-23/h12H,2-11H2,1H3,(H,18,20,24)
InChIKeyMYHYGLQVWKCPHV-UHFFFAOYSA-N
XLogP2.85
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.85
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)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 51043805) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is CCCCc1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is MYHYGLQVWKCPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7OS/c1-2-3-7-14-19-20-15(25-14)18-13(24)10-16(8-5-4-6-9-16)11-23-12-17-21-22-23/h12H,2-11H2,1H3,(H,18,20,24).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 363.49 g/mol, XLogP of 2.85, 8 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)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 51043805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).