N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide

C13H18N6OS2 — CID 176503419

IUPACN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1csc(SC2CCC(NC(=O)Cn3cnnn3)CC2)n1
InChIInChI=1S/C13H18N6OS2/c1-9-7-21-13(15-9)22-11-4-2-10(3-5-11)16-12(20)6-19-8-14-17-18-19/h7-8,10-11H,2-6H2,1H3,(H,16,20)
InChIKeyAZOVJZPDZCVLCI-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.66
Rot. Bonds5

About N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 176503419) has the molecular formula C13H18N6OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide
PubChem CID176503419
Molecular FormulaC13H18N6OS2
Molecular Weight338.46 g/mol
Exact Mass338.10
IUPAC NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1csc(SC2CCC(NC(=O)Cn3cnnn3)CC2)n1
InChIInChI=1S/C13H18N6OS2/c1-9-7-21-13(15-9)22-11-4-2-10(3-5-11)16-12(20)6-19-8-14-17-18-19/h7-8,10-11H,2-6H2,1H3,(H,16,20)
InChIKeyAZOVJZPDZCVLCI-UHFFFAOYSA-N
XLogP1.66
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide (CID 176503419) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide is Cc1csc(SC2CCC(NC(=O)Cn3cnnn3)CC2)n1.
What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is AZOVJZPDZCVLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS2/c1-9-7-21-13(15-9)22-11-4-2-10(3-5-11)16-12(20)6-19-8-14-17-18-19/h7-8,10-11H,2-6H2,1H3,(H,16,20).
What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide?
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 338.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 176503419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).