N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C14H23F3N4OS2 — CID 48915117

IUPACN-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)CCCC(C)NC(=O)CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C14H23F3N4OS2/c1-9(2)5-4-6-10(3)19-11(22)7-23-13-21-20-12(24-13)18-8-14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,20)(H,19,22)
InChIKeySBLREYSXPHXROC-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.94
Rot. Bonds10

About N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 48915117) has the molecular formula C14H23F3N4OS2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID48915117
Molecular FormulaC14H23F3N4OS2
Molecular Weight384.49 g/mol
Exact Mass384.13
IUPAC NameN-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)CCCC(C)NC(=O)CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C14H23F3N4OS2/c1-9(2)5-4-6-10(3)19-11(22)7-23-13-21-20-12(24-13)18-8-14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,20)(H,19,22)
InChIKeySBLREYSXPHXROC-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methylheptan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47115841
N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47115257
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 9379650
N-butan-2-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48915206
N-tert-butyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48924485
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 16500089
N-propan-2-yl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516187
N-(1-phenylethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48924658
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 40629979
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
N-acetyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379661
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18194117

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 48915117) is N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)CCCC(C)NC(=O)CSc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is SBLREYSXPHXROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4OS2/c1-9(2)5-4-6-10(3)19-11(22)7-23-13-21-20-12(24-13)18-8-14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 384.49 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 48915117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).