N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C14H16N2OS2 — CID 4001168

IUPACN,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2csc(SCC(=O)N(C)C)n2)cc1
InChIInChI=1S/C14H16N2OS2/c1-10-4-6-11(7-5-10)12-8-18-14(15-12)19-9-13(17)16(2)3/h4-8H,9H2,1-3H3
InChIKeyKJLINXVMDOANHY-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.30
Rot. Bonds4

About N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 4001168) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID4001168
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2csc(SCC(=O)N(C)C)n2)cc1
InChIInChI=1S/C14H16N2OS2/c1-10-4-6-11(7-5-10)12-8-18-14(15-12)19-9-13(17)16(2)3/h4-8H,9H2,1-3H3
InChIKeyKJLINXVMDOANHY-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine
CID 134066061
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3965817
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
N-(4-tert-butylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 3312350
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18202322
diethyl 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanedioate
CID 134066790
N-(2,5-dichlorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5002916
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4617531
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3529918
(2S)-1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8564762
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3951363

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 4001168) is N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is Cc1ccc(-c2csc(SCC(=O)N(C)C)n2)cc1.
What is the InChIKey of N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KJLINXVMDOANHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-4-6-11(7-5-10)12-8-18-14(15-12)19-9-13(17)16(2)3/h4-8H,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 292.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4001168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).