2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide

C15H18N2OS2 — CID 112767499

IUPAC2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCSc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1
InChIInChI=1S/C15H18N2OS2/c1-15(2,3)13(18)17-14-16-12(9-20-14)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3,(H,16,17,18)
InChIKeyWSWATQKJUCKWIR-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.52
Rot. Bonds3

About 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 112767499) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID112767499
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCSc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1
InChIInChI=1S/C15H18N2OS2/c1-15(2,3)13(18)17-14-16-12(9-20-14)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3,(H,16,17,18)
InChIKeyWSWATQKJUCKWIR-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
CID 119687624
2-amino-3-methyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119270264
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 112767500
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2329444
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119270252
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,2-dimethylpropanamide
CID 17099839
(E)-3-(4-acetamidophenyl)-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 98674905
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide (CID 112767499) is 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide is CSc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is WSWATQKJUCKWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-15(2,3)13(18)17-14-16-12(9-20-14)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 306.46 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 112767499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).