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

C15H18N2OS2 — CID 30007087

IUPAC(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
SMILESCc1csc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C15H18N2OS2/c1-10-9-19-15(16-10)20-12(3)14(18)17-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyNMHJEMULVWDAJX-NEPJUHHUSA-N
MW306.46 g/mol
LogP3.81
Rot. Bonds5

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

(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 30007087) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID30007087
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
SMILESCc1csc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C15H18N2OS2/c1-10-9-19-15(16-10)20-12(3)14(18)17-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyNMHJEMULVWDAJX-NEPJUHHUSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide with MolForge

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Related Compounds

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(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
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(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
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N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
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(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499825
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide (CID 30007087) is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide is Cc1csc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)n1.
What is the InChIKey of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is NMHJEMULVWDAJX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10-9-19-15(16-10)20-12(3)14(18)17-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide?
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 306.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 30007087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).