(2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide

C19H14FN3OS2 — CID 2591295

IUPAC(2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H14FN3OS2/c1-12(18(24)22-16-5-3-2-4-14(16)10-21)26-19-23-17(11-25-19)13-6-8-15(20)9-7-13/h2-9,11-12H,1H3,(H,22,24)/t12-/m0/s1
InChIKeyUSGNUCOQTIBWJJ-LBPRGKRZSA-N
MW383.47 g/mol
LogP4.94
Rot. Bonds5

About (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide

(2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide (PubChem CID 2591295) has the molecular formula C19H14FN3OS2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
PubChem CID2591295
Molecular FormulaC19H14FN3OS2
Molecular Weight383.47 g/mol
Exact Mass383.06
IUPAC Name(2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H14FN3OS2/c1-12(18(24)22-16-5-3-2-4-14(16)10-21)26-19-23-17(11-25-19)13-6-8-15(20)9-7-13/h2-9,11-12H,1H3,(H,22,24)/t12-/m0/s1
InChIKeyUSGNUCOQTIBWJJ-LBPRGKRZSA-N
XLogP4.94
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(dimethylamino)phenyl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 8015493
(2R)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide
CID 9327339
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23914746
(2S)-N-(2-cyanophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8570428
N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778344
(2R)-N-(2-cyanophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7538229
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778325
(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
CID 2501567
(2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide
CID 7883556
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 46811270
(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9484086
N-(2-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434437

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide (CID 2591295) is (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide is C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The InChIKey is USGNUCOQTIBWJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H14FN3OS2/c1-12(18(24)22-16-5-3-2-4-14(16)10-21)26-19-23-17(11-25-19)13-6-8-15(20)9-7-13/h2-9,11-12H,1H3,(H,22,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
(2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 2591295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).