(2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide

C19H17FN4O2S — CID 25115127

IUPAC(2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
SMILESC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H17FN4O2S/c1-12(21-16(25)11-13-5-3-2-4-6-13)17(26)22-19-24-23-18(27-19)14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3,(H,21,25)(H,22,24,26)/t12-/m1/s1
InChIKeyJQQJBBCVQJZUAP-GFCCVEGCSA-N
MW384.44 g/mol
LogP3.03
Rot. Bonds6

About (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide

(2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide (PubChem CID 25115127) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
PubChem CID25115127
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name(2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
SMILESC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H17FN4O2S/c1-12(21-16(25)11-13-5-3-2-4-6-13)17(26)22-19-24-23-18(27-19)14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3,(H,21,25)(H,22,24,26)/t12-/m1/s1
InChIKeyJQQJBBCVQJZUAP-GFCCVEGCSA-N
XLogP3.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[5-[Butyl-(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methylamino]acetic acid
CID 58390949
(R)-N-(1-((5-(4-Cyanobenzyl)-1,3,4-thiadiazol-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-(trifluoromethyl)cyclohexane-1-carboxamide
CID 167312463
N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-fluorobenzyl)piperazin-1-yl]-4-oxobutanamide
CID 1389055
3-methyl-N-[(2S)-3-methyl-1-oxo-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
CID 2089556
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(trifluoroacetyl)amino]propanamide
CID 4641343
3-phenyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-3-[(trifluoroacetyl)amino]propanamide
CID 5028285
N-butyl-N-[5-[4-(piperazin-1-ylmethyl)phenyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 70681008
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 70685212
N-[3-fluoro-2-oxo-1-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-4-pyridinyl]-2-phenylacetamide
CID 155511426
5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide
CID 71451825
5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 71457143
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 12134957

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide (CID 25115127) is (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide is C[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide?
The InChIKey is JQQJBBCVQJZUAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-12(21-16(25)11-13-5-3-2-4-6-13)17(26)22-19-24-23-18(27-19)14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3,(H,21,25)(H,22,24,26)/t12-/m1/s1.
What are the key properties of (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide?
(2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide has a molecular weight of 384.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 25115127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).