2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

C15H18N2OS2 — CID 8871898

IUPAC2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCSCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C15H18N2OS2/c1-9-5-11(3)12(6-10(9)2)13-7-20-15(16-13)17-14(18)8-19-4/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyCYCRTWQSGIPNSG-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.04
Rot. Bonds4

About 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8871898) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID8871898
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCSCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C15H18N2OS2/c1-9-5-11(3)12(6-10(9)2)13-7-20-15(16-13)17-14(18)8-19-4/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyCYCRTWQSGIPNSG-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55497388
2-(4-bromophenyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4673905
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 30136380
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55640445
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 7924768
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55460057
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate
CID 52825036
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34228221
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41188908

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 8871898) is 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is CSCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CYCRTWQSGIPNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-9-5-11(3)12(6-10(9)2)13-7-20-15(16-13)17-14(18)8-19-4/h5-7H,8H2,1-4H3,(H,16,17,18).
What are the key properties of 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 306.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8871898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).