N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide

C8H9F3N4OS — CID 107304728

IUPACN-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESO=C(CNc1nc(C(F)(F)F)ns1)NC1CC1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)12-3-5(16)13-4-1-2-4/h4H,1-3H2,(H,13,16)(H,12,14,15)
InChIKeyRNWSCSHZVXANOT-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.25
Rot. Bonds4

About N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide

N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (PubChem CID 107304728) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
PubChem CID107304728
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC NameN-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESO=C(CNc1nc(C(F)(F)F)ns1)NC1CC1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)12-3-5(16)13-4-1-2-4/h4H,1-3H2,(H,13,16)(H,12,14,15)
InChIKeyRNWSCSHZVXANOT-UHFFFAOYSA-N
XLogP1.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 105966899
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304650
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304703
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304704
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304721
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
CID 107304723
N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304727
N,N-diethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304753
2-[4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide
CID 107304765
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (CID 107304728) is N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is O=C(CNc1nc(C(F)(F)F)ns1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The InChIKey is RNWSCSHZVXANOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)12-3-5(16)13-4-1-2-4/h4H,1-3H2,(H,13,16)(H,12,14,15).
What are the key properties of N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide has a molecular weight of 266.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 107304728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).