2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide

C18H14ClN5O2S — CID 51364169

IUPAC2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3nccs3)c(=O)c21
InChIInChI=1S/C18H14ClN5O2S/c1-23-8-13(11-2-4-12(19)5-3-11)15-16(23)17(26)24(10-21-15)9-14(25)22-18-20-6-7-27-18/h2-8,10H,9H2,1H3,(H,20,22,25)
InChIKeyPCNVXZDZMSFDNZ-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.15
Rot. Bonds4

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

2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 51364169) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID51364169
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC Name2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3nccs3)c(=O)c21
InChIInChI=1S/C18H14ClN5O2S/c1-23-8-13(11-2-4-12(19)5-3-11)15-16(23)17(26)24(10-21-15)9-14(25)22-18-20-6-7-27-18/h2-8,10H,9H2,1H3,(H,20,22,25)
InChIKeyPCNVXZDZMSFDNZ-UHFFFAOYSA-N
XLogP3.15
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363815
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95920151
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
CID 95916394
3-benzyl-7-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-one
CID 95920139
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26094001
N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide
CID 95920144
N-(3-chlorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363762
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 863218
2-(3-butyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 53002923
N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363758
2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30850230

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 51364169) is 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide is Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3nccs3)c(=O)c21.
What is the InChIKey of 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PCNVXZDZMSFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-23-8-13(11-2-4-12(19)5-3-11)15-16(23)17(26)24(10-21-15)9-14(25)22-18-20-6-7-27-18/h2-8,10H,9H2,1H3,(H,20,22,25).
What are the key properties of 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 399.86 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 51364169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).