2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

C18H23N3O2S2 — CID 88956066

IUPAC2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(SCC1CCOCC1)C(=O)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H23N3O2S2/c1-18(2,25-11-13-5-9-23-10-6-13)16(22)21-17-20-15(12-24-17)14-3-7-19-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,21,22)
InChIKeyROWBLEIRXXXIIS-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.08
Rot. Bonds6

About 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 88956066) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID88956066
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Name2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(SCC1CCOCC1)C(=O)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H23N3O2S2/c1-18(2,25-11-13-5-9-23-10-6-13)16(22)21-17-20-15(12-24-17)14-3-7-19-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,21,22)
InChIKeyROWBLEIRXXXIIS-UHFFFAOYSA-N
XLogP4.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
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2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
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2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
(2S,4R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 88531001
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
CID 120783216
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
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2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154669651
2-(cyclopropylmethylsulfanyl)-N-[5-(3-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 88956066) is 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is CC(C)(SCC1CCOCC1)C(=O)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ROWBLEIRXXXIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-18(2,25-11-13-5-9-23-10-6-13)16(22)21-17-20-15(12-24-17)14-3-7-19-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 377.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88956066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).