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

C11H12F3N5OS3 — CID 48924134

IUPACN-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CSc2nnc(NCC(F)(F)F)s2)cs1
InChIInChI=1S/C11H12F3N5OS3/c1-6(20)19(2)9-16-7(3-21-9)4-22-10-18-17-8(23-10)15-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,17)
InChIKeyYRCMBTKTULACMF-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.24
Rot. Bonds6

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

N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 48924134) has the molecular formula C11H12F3N5OS3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID48924134
Molecular FormulaC11H12F3N5OS3
Molecular Weight383.45 g/mol
Exact Mass383.02
IUPAC NameN-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CSc2nnc(NCC(F)(F)F)s2)cs1
InChIInChI=1S/C11H12F3N5OS3/c1-6(20)19(2)9-16-7(3-21-9)4-22-10-18-17-8(23-10)15-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,17)
InChIKeyYRCMBTKTULACMF-UHFFFAOYSA-N
XLogP3.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3955121
N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 18161307
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 3145853
2-((5-(3-(tert-butyl)ureido)-1,3,4-thiadiazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 18578448
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4538564
N-(5-((2-((4-methylthiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)butyramide
CID 7191265
N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 2536790
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 974496
2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 8482766
N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 4882052
N-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 33963282
N-methyl-N-[4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 47069702

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 48924134) is N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(C)c1nc(CSc2nnc(NCC(F)(F)F)s2)cs1.
What is the InChIKey of N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YRCMBTKTULACMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5OS3/c1-6(20)19(2)9-16-7(3-21-9)4-22-10-18-17-8(23-10)15-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 48924134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).