N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide

C19H21N5OS2 — CID 30008958

IUPACN-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc(C)cc(N)n2)cs1
InChIInChI=1S/C19H21N5OS2/c1-11-5-6-16(7-12(11)2)24(14(4)25)19-22-15(10-27-19)9-26-18-21-13(3)8-17(20)23-18/h5-8,10H,9H2,1-4H3,(H2,20,21,23)
InChIKeyYPTJLYNKKLBHEP-UHFFFAOYSA-N
MW399.55 g/mol
LogP4.42
Rot. Bonds5

About N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide

N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 30008958) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID30008958
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC NameN-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc(C)cc(N)n2)cs1
InChIInChI=1S/C19H21N5OS2/c1-11-5-6-16(7-12(11)2)24(14(4)25)19-22-15(10-27-19)9-26-18-21-13(3)8-17(20)23-18/h5-8,10H,9H2,1-4H3,(H2,20,21,23)
InChIKeyYPTJLYNKKLBHEP-UHFFFAOYSA-N
XLogP4.42
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4858914
N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 30009050
N-(3,4-dimethylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4828286
N-(3-chlorophenyl)-N-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 39046550
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2121621
N-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 4858943
[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-methylbenzoate
CID 7695936
N-(3,4-dimethylphenyl)-N-[4-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 78759435
N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 33093562
N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 41032769
[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 7419085
N-(3,4-dimethylphenyl)-N-[4-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4859048

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide (CID 30008958) is N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide is CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc(C)cc(N)n2)cs1.
What is the InChIKey of N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is YPTJLYNKKLBHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-11-5-6-16(7-12(11)2)24(14(4)25)19-22-15(10-27-19)9-26-18-21-13(3)8-17(20)23-18/h5-8,10H,9H2,1-4H3,(H2,20,21,23).
What are the key properties of N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 399.55 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 30008958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).