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

C17H21N3OS2 — CID 5175659

IUPACN-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C17H21N3OS2/c1-12-6-5-7-13(10-12)16-19-17(23-20-16)22-11-15(21)18-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyBUUANSHNMOQWKC-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.05
Rot. Bonds5

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

N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 5175659) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID5175659
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC NameN-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C17H21N3OS2/c1-12-6-5-7-13(10-12)16-19-17(23-20-16)22-11-15(21)18-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyBUUANSHNMOQWKC-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067091
N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417737
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55690820
N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471248
N-cyclopentyl-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032820
N-cyclopropyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7378189
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
N-cyclohexyl-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500688
N-cyclooctyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 84602597

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 5175659) is N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1cccc(-c2nsc(SCC(=O)NC3CCCCC3)n2)c1.
What is the InChIKey of N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is BUUANSHNMOQWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-12-6-5-7-13(10-12)16-19-17(23-20-16)22-11-15(21)18-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 347.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 5175659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).