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

C10H10F3N5OS3 — CID 48914977

IUPACN-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSc2nnc(NCC(F)(F)F)s2)cs1
InChIInChI=1S/C10H10F3N5OS3/c1-5(19)15-8-16-6(2-20-8)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)
InChIKeyYCMQVXOMFUONQD-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.22
Rot. Bonds6

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

N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 48914977) has the molecular formula C10H10F3N5OS3 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID48914977
Molecular FormulaC10H10F3N5OS3
Molecular Weight369.42 g/mol
Exact Mass369.00
IUPAC NameN-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSc2nnc(NCC(F)(F)F)s2)cs1
InChIInChI=1S/C10H10F3N5OS3/c1-5(19)15-8-16-6(2-20-8)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)
InChIKeyYCMQVXOMFUONQD-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 48914977) is 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-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CSc2nnc(NCC(F)(F)F)s2)cs1.
What is the InChIKey of N-[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YCMQVXOMFUONQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS3/c1-5(19)15-8-16-6(2-20-8)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-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
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 369.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 48914977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).