N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C12H19N3OS2 — CID 1152793

IUPACN-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N(C)C2CCCCC2)s1
InChIInChI=1S/C12H19N3OS2/c1-9-13-14-12(18-9)17-8-11(16)15(2)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
InChIKeyRYARNAYPJRQGGS-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.73
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 1152793) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID1152793
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC NameN-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N(C)C2CCCCC2)s1
InChIInChI=1S/C12H19N3OS2/c1-9-13-14-12(18-9)17-8-11(16)15(2)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
InChIKeyRYARNAYPJRQGGS-UHFFFAOYSA-N
XLogP2.73
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 1152793) is N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)N(C)C2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RYARNAYPJRQGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-9-13-14-12(18-9)17-8-11(16)15(2)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 285.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1152793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).