2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C17H13N5OS3 — CID 51700710

IUPAC2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc2c(-c3ccccc3)nc(SCC(=O)Nc3nccs3)nc2s1
InChIInChI=1S/C17H13N5OS3/c1-10-19-14-13(11-5-3-2-4-6-11)21-17(22-15(14)26-10)25-9-12(23)20-16-18-7-8-24-16/h2-8H,9H2,1H3,(H,18,20,23)
InChIKeyBPECHVUQDDOIHB-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.25
Rot. Bonds5

About 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 51700710) has the molecular formula C17H13N5OS3 and a molecular weight of 399.53 g/mol. Its IUPAC name is 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID51700710
Molecular FormulaC17H13N5OS3
Molecular Weight399.53 g/mol
Exact Mass399.03
IUPAC Name2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc2c(-c3ccccc3)nc(SCC(=O)Nc3nccs3)nc2s1
InChIInChI=1S/C17H13N5OS3/c1-10-19-14-13(11-5-3-2-4-6-11)21-17(22-15(14)26-10)25-9-12(23)20-16-18-7-8-24-16/h2-8H,9H2,1H3,(H,18,20,23)
InChIKeyBPECHVUQDDOIHB-UHFFFAOYSA-N
XLogP4.25
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one
CID 51700685
2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 51700690
2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 51700626
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1136268
2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 30603452
2-(1-benzylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 847800
2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 124506830
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 22695400
2-[[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 20851998
2-[[5-[hydroxy(phenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2923228
2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4186347
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3228873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 51700710) is 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nc2c(-c3ccccc3)nc(SCC(=O)Nc3nccs3)nc2s1.
What is the InChIKey of 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BPECHVUQDDOIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS3/c1-10-19-14-13(11-5-3-2-4-6-11)21-17(22-15(14)26-10)25-9-12(23)20-16-18-7-8-24-16/h2-8H,9H2,1H3,(H,18,20,23).
What are the key properties of 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 399.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 51700710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).