N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide

C24H20N6O2S3 — CID 146269104

IUPACN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)s1
InChIInChI=1S/C24H20N6O2S3/c1-15-7-8-18(35-15)17-13-33-23(27-17)28-19(31)14-34-24-29-21-20(25-10-11-26-21)22(32)30(24)12-9-16-5-3-2-4-6-16/h2-8,10-11,13H,9,12,14H2,1H3,(H,27,28,31)
InChIKeyJNPNSKVAKUJWMI-UHFFFAOYSA-N
MW520.67 g/mol
LogP4.65
Rot. Bonds8

About N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide

N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide (PubChem CID 146269104) has the molecular formula C24H20N6O2S3 and a molecular weight of 520.67 g/mol. Its IUPAC name is N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
PubChem CID146269104
Molecular FormulaC24H20N6O2S3
Molecular Weight520.67 g/mol
Exact Mass520.08
IUPAC NameN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)s1
InChIInChI=1S/C24H20N6O2S3/c1-15-7-8-18(35-15)17-13-33-23(27-17)28-19(31)14-34-24-29-21-20(25-10-11-26-21)22(32)30(24)12-9-16-5-3-2-4-6-16/h2-8,10-11,13H,9,12,14H2,1H3,(H,27,28,31)
InChIKeyJNPNSKVAKUJWMI-UHFFFAOYSA-N
XLogP4.65
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.67
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829060
6-pyridin-2-yl-N-thiophen-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 155551480
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1164343
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 3905080
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 9114840
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
2-methyl-N-(6-methyl-2-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11558879
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 32622575
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 44480883
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)thiazole-5-carboxamide
CID 59481229

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide?
The IUPAC name of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide (CID 146269104) is N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide is Cc1ccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)s1.
What is the InChIKey of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide?
The InChIKey is JNPNSKVAKUJWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S3/c1-15-7-8-18(35-15)17-13-33-23(27-17)28-19(31)14-34-24-29-21-20(25-10-11-26-21)22(32)30(24)12-9-16-5-3-2-4-6-16/h2-8,10-11,13H,9,12,14H2,1H3,(H,27,28,31).
What are the key properties of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide?
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide has a molecular weight of 520.67 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 146269104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).