(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C18H15FN2OS2 — CID 7228846

IUPAC(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15FN2OS2/c1-12(24-15-9-7-14(19)8-10-15)17(22)21-18-20-16(11-23-18)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21,22)/t12-/m0/s1
InChIKeyXOVIGEUBTMKYRB-LBPRGKRZSA-N
MW358.46 g/mol
LogP5.07
Rot. Bonds5

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

(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 7228846) has the molecular formula C18H15FN2OS2 and a molecular weight of 358.46 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID7228846
Molecular FormulaC18H15FN2OS2
Molecular Weight358.46 g/mol
Exact Mass358.06
IUPAC Name(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15FN2OS2/c1-12(24-15-9-7-14(19)8-10-15)17(22)21-18-20-16(11-23-18)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21,22)/t12-/m0/s1
InChIKeyXOVIGEUBTMKYRB-LBPRGKRZSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 19713018
2-[[3-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895045
(2S)-N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7784999
4-fluoro-N-[3-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18899785
N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712121
N-[3-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 18899137
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 23772584
2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 46305082
2-(4-aminophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19630104
N-[(Z)-3-[4-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylanilino]-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 22192591
N-[3-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18900577
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 55442614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 7228846) is (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is C[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XOVIGEUBTMKYRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15FN2OS2/c1-12(24-15-9-7-14(19)8-10-15)17(22)21-18-20-16(11-23-18)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7228846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).