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

C11H11F3N4OS3 — CID 48915131

IUPACN-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCC(F)(F)F)s1)NCc1cccs1
InChIInChI=1S/C11H11F3N4OS3/c12-11(13,14)6-16-9-17-18-10(22-9)21-5-8(19)15-4-7-2-1-3-20-7/h1-3H,4-6H2,(H,15,19)(H,16,17)
InChIKeyQXPNHHJQDHSCMO-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.98
Rot. Bonds7

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

N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 48915131) has the molecular formula C11H11F3N4OS3 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID48915131
Molecular FormulaC11H11F3N4OS3
Molecular Weight368.43 g/mol
Exact Mass368.00
IUPAC NameN-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCC(F)(F)F)s1)NCc1cccs1
InChIInChI=1S/C11H11F3N4OS3/c12-11(13,14)6-16-9-17-18-10(22-9)21-5-8(19)15-4-7-2-1-3-20-7/h1-3H,4-6H2,(H,15,19)(H,16,17)
InChIKeyQXPNHHJQDHSCMO-UHFFFAOYSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 48915131) is N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(NCC(F)(F)F)s1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QXPNHHJQDHSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS3/c12-11(13,14)6-16-9-17-18-10(22-9)21-5-8(19)15-4-7-2-1-3-20-7/h1-3H,4-6H2,(H,15,19)(H,16,17).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 48915131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).