2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C15H15N3OS3 — CID 23772584

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H15N3OS3/c1-10(22-15-16-7-8-20-15)13(19)18-14-17-12(9-21-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeyRZMBOMXBZHOUDN-UHFFFAOYSA-N
MW349.51 g/mol
LogP3.97
Rot. Bonds4

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 23772584) has the molecular formula C15H15N3OS3 and a molecular weight of 349.51 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID23772584
Molecular FormulaC15H15N3OS3
Molecular Weight349.51 g/mol
Exact Mass349.04
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H15N3OS3/c1-10(22-15-16-7-8-20-15)13(19)18-14-17-12(9-21-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeyRZMBOMXBZHOUDN-UHFFFAOYSA-N
XLogP3.97
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7228846
(2S)-N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7784999
2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 46305082
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7977672
(2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 42124387
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304864
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
2-[[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 19713018
N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712121
(E)-4-oxo-4-[3-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 18895334
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 46811270

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 23772584) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CC(SC1=NCCS1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RZMBOMXBZHOUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS3/c1-10(22-15-16-7-8-20-15)13(19)18-14-17-12(9-21-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 349.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23772584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).