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

C10H10F3N5OS3 — CID 48924128

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nnc(NCC(F)(F)F)s2)n1
InChIInChI=1S/C10H10F3N5OS3/c1-5-2-20-8(15-5)16-6(19)3-21-9-18-17-7(22-9)14-4-10(11,12)13/h2H,3-4H2,1H3,(H,14,17)(H,15,16,19)
InChIKeyKPKMLBDXMOWBSJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.01
Rot. Bonds6

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 48924128) has the molecular formula C10H10F3N5OS3 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID48924128
Molecular FormulaC10H10F3N5OS3
Molecular Weight369.42 g/mol
Exact Mass369.00
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nnc(NCC(F)(F)F)s2)n1
InChIInChI=1S/C10H10F3N5OS3/c1-5-2-20-8(15-5)16-6(19)3-21-9-18-17-7(22-9)14-4-10(11,12)13/h2H,3-4H2,1H3,(H,14,17)(H,15,16,19)
InChIKeyKPKMLBDXMOWBSJ-UHFFFAOYSA-N
XLogP3.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 48924128) is N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is Cc1csc(NC(=O)CSc2nnc(NCC(F)(F)F)s2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KPKMLBDXMOWBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS3/c1-5-2-20-8(15-5)16-6(19)3-21-9-18-17-7(22-9)14-4-10(11,12)13/h2H,3-4H2,1H3,(H,14,17)(H,15,16,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 48924128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).