N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

C20H18N4OS3 — CID 34252207

IUPACN-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CSc2ncnc3ccsc23)cs1)c1ccc(C)cc1C
InChIInChI=1S/C20H18N4OS3/c1-12-4-5-17(13(2)8-12)24(14(3)25)20-23-15(10-28-20)9-27-19-18-16(6-7-26-18)21-11-22-19/h4-8,10-11H,9H2,1-3H3
InChIKeyLFWCNSPIMPDCKL-UHFFFAOYSA-N
MW426.59 g/mol
LogP5.74
Rot. Bonds5

About N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 34252207) has the molecular formula C20H18N4OS3 and a molecular weight of 426.59 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID34252207
Molecular FormulaC20H18N4OS3
Molecular Weight426.59 g/mol
Exact Mass426.06
IUPAC NameN-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CSc2ncnc3ccsc23)cs1)c1ccc(C)cc1C
InChIInChI=1S/C20H18N4OS3/c1-12-4-5-17(13(2)8-12)24(14(3)25)20-23-15(10-28-20)9-27-19-18-16(6-7-26-18)21-11-22-19/h4-8,10-11H,9H2,1-3H3
InChIKeyLFWCNSPIMPDCKL-UHFFFAOYSA-N
XLogP5.74
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 34252090
N-(2,4-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728153
N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39013506
N-[4-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55578087
4-O-[[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851559
N-[4-[(4-acetyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55579144
N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 8557799
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-chlorobenzoate
CID 7797118
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate
CID 8550219
5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
CID 34253828
1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34256425
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910126

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (CID 34252207) is N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CSc2ncnc3ccsc23)cs1)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LFWCNSPIMPDCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS3/c1-12-4-5-17(13(2)8-12)24(14(3)25)20-23-15(10-28-20)9-27-19-18-16(6-7-26-18)21-11-22-19/h4-8,10-11H,9H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 426.59 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 34252207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).