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

C15H18N2OS2 — CID 7499741

IUPAC(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Sc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N2OS2/c1-4-12-5-7-13(8-6-12)17-14(18)11(3)20-15-16-10(2)9-19-15/h5-9,11H,4H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyZKJQOYUZRRFWHO-NSHDSACASA-N
MW306.46 g/mol
LogP4.13
Rot. Bonds5

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

(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 7499741) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID7499741
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Sc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N2OS2/c1-4-12-5-7-13(8-6-12)17-14(18)11(3)20-15-16-10(2)9-19-15/h5-9,11H,4H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyZKJQOYUZRRFWHO-NSHDSACASA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622345
N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 51235539
(2S)-N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936643
N-(3-amino-4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43104704
N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622493
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
(2S)-N-(4-ethylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7557431
N-(3-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43187503
(2S)-N-(3-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2532586
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide
CID 46626705
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
CID 8632160
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethylphenyl)propanamide
CID 7865177

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 7499741) is (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is CCc1ccc(NC(=O)[C@H](C)Sc2nc(C)cs2)cc1.
What is the InChIKey of (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is ZKJQOYUZRRFWHO-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-4-12-5-7-13(8-6-12)17-14(18)11(3)20-15-16-10(2)9-19-15/h5-9,11H,4H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 306.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7499741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).