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

C15H18N2OS2 — CID 8936461

IUPAC(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
SMILESCc1csc(S[C@@H](C)C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C15H18N2OS2/c1-11-10-19-15(17-11)20-12(2)14(18)16-9-8-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyBJXHCTCPFXPJAV-LBPRGKRZSA-N
MW306.46 g/mol
LogP3.29
Rot. Bonds6

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

(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide (PubChem CID 8936461) 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-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
PubChem CID8936461
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
SMILESCc1csc(S[C@@H](C)C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C15H18N2OS2/c1-11-10-19-15(17-11)20-12(2)14(18)16-9-8-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyBJXHCTCPFXPJAV-LBPRGKRZSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007087
(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837092
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
methyl 4-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoylamino]methyl]benzoate
CID 51314488
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499741
(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 40707204
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499841
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2086791
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 46811270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide (CID 8936461) is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide is Cc1csc(S[C@@H](C)C(=O)NCCc2ccccc2)n1.
What is the InChIKey of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide?
The InChIKey is BJXHCTCPFXPJAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-11-10-19-15(17-11)20-12(2)14(18)16-9-8-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide?
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide has a molecular weight of 306.46 g/mol, XLogP of 3.29, 6 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 8936461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).