2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide

C15H18N2OS2 — CID 46811270

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Sc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2OS2/c1-10(2)16-14(18)11(3)20-15-17-13(9-19-15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,16,18)
InChIKeyMWHMKKQKURMYRS-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.82
Rot. Bonds5

About 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide

2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide (PubChem CID 46811270) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
PubChem CID46811270
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Sc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2OS2/c1-10(2)16-14(18)11(3)20-15-17-13(9-19-15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,16,18)
InChIKeyMWHMKKQKURMYRS-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9484086
(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837092
N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide
CID 8956006
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837093
N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4881139
N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4779584
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2550334
(2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837022
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837023
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2563340
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007087
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 8936461

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide (CID 46811270) is 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Sc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide?
The InChIKey is MWHMKKQKURMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10(2)16-14(18)11(3)20-15-17-13(9-19-15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,16,18).
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide?
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide has a molecular weight of 306.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 46811270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).