(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide

C16H20FN5O3S — CID 66663018

IUPAC(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
SMILESCO[C@H](C)C(=O)N(C)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C16H20FN5O3S/c1-10(25-3)14(23)22(2)9-13-19-16(26-21-13)20-15(24)18-8-11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,24)/t10-/m1/s1
InChIKeySAFWWVNEDSLIIO-SNVBAGLBSA-N
MW381.43 g/mol
LogP1.99
Rot. Bonds7

About (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide

(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide (PubChem CID 66663018) has the molecular formula C16H20FN5O3S and a molecular weight of 381.43 g/mol. Its IUPAC name is (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
PubChem CID66663018
Molecular FormulaC16H20FN5O3S
Molecular Weight381.43 g/mol
Exact Mass381.13
IUPAC Name(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
SMILESCO[C@H](C)C(=O)N(C)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C16H20FN5O3S/c1-10(25-3)14(23)22(2)9-13-19-16(26-21-13)20-15(24)18-8-11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,24)/t10-/m1/s1
InChIKeySAFWWVNEDSLIIO-SNVBAGLBSA-N
XLogP1.99
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide?
The IUPAC name of (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide (CID 66663018) is (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide.
What is the SMILES notation for (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide?
The canonical SMILES for (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide is CO[C@H](C)C(=O)N(C)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide?
The InChIKey is SAFWWVNEDSLIIO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20FN5O3S/c1-10(25-3)14(23)22(2)9-13-19-16(26-21-13)20-15(24)18-8-11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,24)/t10-/m1/s1.
What are the key properties of (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide?
(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide has a molecular weight of 381.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 66663018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).