3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide

C19H17F3N6O4S2 — CID 118385736

IUPAC3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2nnc(-c3cncs3)s2)ccc1OC(F)(F)F
InChIInChI=1S/C19H17F3N6O4S2/c20-19(21,22)32-13-2-1-11(7-12(13)24-15(29)9-28-3-5-31-6-4-28)16(30)25-18-27-26-17(34-18)14-8-23-10-33-14/h1-2,7-8,10H,3-6,9H2,(H,24,29)(H,25,27,30)
InChIKeyBHKIKYQTUCCADU-UHFFFAOYSA-N
MW514.51 g/mol
LogP3.08
Rot. Bonds7

About 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide

3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 118385736) has the molecular formula C19H17F3N6O4S2 and a molecular weight of 514.51 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID118385736
Molecular FormulaC19H17F3N6O4S2
Molecular Weight514.51 g/mol
Exact Mass514.07
IUPAC Name3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2nnc(-c3cncs3)s2)ccc1OC(F)(F)F
InChIInChI=1S/C19H17F3N6O4S2/c20-19(21,22)32-13-2-1-11(7-12(13)24-15(29)9-28-3-5-31-6-4-28)16(30)25-18-27-26-17(34-18)14-8-23-10-33-14/h1-2,7-8,10H,3-6,9H2,(H,24,29)(H,25,27,30)
InChIKeyBHKIKYQTUCCADU-UHFFFAOYSA-N
XLogP3.08
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide (CID 118385736) is 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide is O=C(CN1CCOCC1)Nc1cc(C(=O)Nc2nnc(-c3cncs3)s2)ccc1OC(F)(F)F.
What is the InChIKey of 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is BHKIKYQTUCCADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O4S2/c20-19(21,22)32-13-2-1-11(7-12(13)24-15(29)9-28-3-5-31-6-4-28)16(30)25-18-27-26-17(34-18)14-8-23-10-33-14/h1-2,7-8,10H,3-6,9H2,(H,24,29)(H,25,27,30).
What are the key properties of 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide?
3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 514.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 118385736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).