N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide

C19H15Cl2N5O3S — CID 91464217

IUPACN-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCc1c(Cl)cc(-c2csc(NC(=O)Cn3ccc4c3c(=O)[nH]c(=O)n4C)n2)cc1Cl
InChIInChI=1S/C19H15Cl2N5O3S/c1-9-11(20)5-10(6-12(9)21)13-8-30-18(22-13)23-15(27)7-26-4-3-14-16(26)17(28)24-19(29)25(14)2/h3-6,8H,7H2,1-2H3,(H,22,23,27)(H,24,28,29)
InChIKeyBZUUGONJWXNTMQ-UHFFFAOYSA-N
MW464.33 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide

N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide (PubChem CID 91464217) has the molecular formula C19H15Cl2N5O3S and a molecular weight of 464.33 g/mol. Its IUPAC name is N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
PubChem CID91464217
Molecular FormulaC19H15Cl2N5O3S
Molecular Weight464.33 g/mol
Exact Mass463.03
IUPAC NameN-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCc1c(Cl)cc(-c2csc(NC(=O)Cn3ccc4c3c(=O)[nH]c(=O)n4C)n2)cc1Cl
InChIInChI=1S/C19H15Cl2N5O3S/c1-9-11(20)5-10(6-12(9)21)13-8-30-18(22-13)23-15(27)7-26-4-3-14-16(26)17(28)24-19(29)25(14)2/h3-6,8H,7H2,1-2H3,(H,22,23,27)(H,24,28,29)
InChIKeyBZUUGONJWXNTMQ-UHFFFAOYSA-N
XLogP3.41
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-ethyl-3,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 91535260
N-[4-[3-chloro-5-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 86662202
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3,4,5-trichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 122635853
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 46947247
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 87424122
N-[4-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 86662206
N-[4-[3-chloro-4-(2,2-dimethylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
CID 53390570
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19729082
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 87424099
N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 126771267
N-[4-(3-chloro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 88573446
N-[4-(3,5-dichloro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 88573480

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide (CID 91464217) is N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide is Cc1c(Cl)cc(-c2csc(NC(=O)Cn3ccc4c3c(=O)[nH]c(=O)n4C)n2)cc1Cl.
What is the InChIKey of N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The InChIKey is BZUUGONJWXNTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O3S/c1-9-11(20)5-10(6-12(9)21)13-8-30-18(22-13)23-15(27)7-26-4-3-14-16(26)17(28)24-19(29)25(14)2/h3-6,8H,7H2,1-2H3,(H,22,23,27)(H,24,28,29).
What are the key properties of N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide has a molecular weight of 464.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91464217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).