N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide

C14H14N4OS2 — CID 75376147

IUPACN-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCSc1ccc(C#N)cc1NCc1csc(NC(C)=O)n1
InChIInChI=1S/C14H14N4OS2/c1-9(19)17-14-18-11(8-21-14)7-16-12-5-10(6-15)3-4-13(12)20-2/h3-5,8,16H,7H2,1-2H3,(H,17,18,19)
InChIKeyGDZAYJPOQSYUIR-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75376147) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75376147
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC NameN-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCSc1ccc(C#N)cc1NCc1csc(NC(C)=O)n1
InChIInChI=1S/C14H14N4OS2/c1-9(19)17-14-18-11(8-21-14)7-16-12-5-10(6-15)3-4-13(12)20-2/h3-5,8,16H,7H2,1-2H3,(H,17,18,19)
InChIKeyGDZAYJPOQSYUIR-UHFFFAOYSA-N
XLogP3.31
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 86788063
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
3-(3-hydroxypropylamino)-4-methylsulfanylbenzonitrile
CID 75482311
N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 130734517
2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 43304111
1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857801
5-[(2-methylsulfanylanilino)methyl]thiophene-3-carbonitrile
CID 79614263
3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-2-aminopropanoic acid
CID 43414247
1-(2-cyano-4-fluorophenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857754
N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43226278
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
CID 41486929

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide (CID 75376147) is N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide is CSc1ccc(C#N)cc1NCc1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GDZAYJPOQSYUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-9(19)17-14-18-11(8-21-14)7-16-12-5-10(6-15)3-4-13(12)20-2/h3-5,8,16H,7H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 318.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75376147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).