2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide

C20H17N5O3S — CID 91436488

IUPAC2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)Cc3ccnc4[nH]c(=O)[nH]c(=O)c34)n2)cc1
InChIInChI=1S/C20H17N5O3S/c1-2-11-3-5-12(6-4-11)14-10-29-20(22-14)23-15(26)9-13-7-8-21-17-16(13)18(27)25-19(28)24-17/h3-8,10H,2,9H2,1H3,(H,22,23,26)(H2,21,24,25,27,28)
InChIKeyUGFKZFBLFZPBFJ-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.48
Rot. Bonds5

About 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 91436488) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID91436488
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)Cc3ccnc4[nH]c(=O)[nH]c(=O)c34)n2)cc1
InChIInChI=1S/C20H17N5O3S/c1-2-11-3-5-12(6-4-11)14-10-29-20(22-14)23-15(26)9-13-7-8-21-17-16(13)18(27)25-19(28)24-17/h3-8,10H,2,9H2,1H3,(H,22,23,26)(H2,21,24,25,27,28)
InChIKeyUGFKZFBLFZPBFJ-UHFFFAOYSA-N
XLogP2.48
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901256
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699309
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41107572
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)acetamide
CID 110503150
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 46927797
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 91436488) is 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide is CCc1ccc(-c2csc(NC(=O)Cc3ccnc4[nH]c(=O)[nH]c(=O)c34)n2)cc1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UGFKZFBLFZPBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-2-11-3-5-12(6-4-11)14-10-29-20(22-14)23-15(26)9-13-7-8-21-17-16(13)18(27)25-19(28)24-17/h3-8,10H,2,9H2,1H3,(H,22,23,26)(H2,21,24,25,27,28).
What are the key properties of 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 407.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 91436488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).