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

C14H23F3N4OS2 — CID 48915102

IUPACN,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C14H23F3N4OS2/c1-9(2)5-21(6-10(3)4)11(22)7-23-13-20-19-12(24-13)18-8-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyYHSKNNNENMLLOA-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.74
Rot. Bonds9

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

N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 48915102) has the molecular formula C14H23F3N4OS2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID48915102
Molecular FormulaC14H23F3N4OS2
Molecular Weight384.49 g/mol
Exact Mass384.13
IUPAC NameN,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C14H23F3N4OS2/c1-9(2)5-21(6-10(3)4)11(22)7-23-13-20-19-12(24-13)18-8-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyYHSKNNNENMLLOA-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 48915102) is N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)CN(CC(C)C)C(=O)CSc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YHSKNNNENMLLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4OS2/c1-9(2)5-21(6-10(3)4)11(22)7-23-13-20-19-12(24-13)18-8-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,19).
What are the key properties of N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N,N-bis(2-methylpropyl)-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 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 48915102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).