(4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide

C21H26N4O4S — CID 70682718

IUPAC(4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NC(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H26N4O4S/c1-13-10-24(20(29)22-17(13)27)11-16(26)25-15(18(28)23-21(2,3)4)12-30-19(25)14-8-6-5-7-9-14/h5-10,15,19H,11-12H2,1-4H3,(H,23,28)(H,22,27,29)/t15-,19?/m0/s1
InChIKeyCOVWNVRQEOERIC-FUKCDUGKSA-N
MW430.53 g/mol
LogP1.40
Rot. Bonds4

About (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide

(4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 70682718) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID70682718
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name(4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NC(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H26N4O4S/c1-13-10-24(20(29)22-17(13)27)11-16(26)25-15(18(28)23-21(2,3)4)12-30-19(25)14-8-6-5-7-9-14/h5-10,15,19H,11-12H2,1-4H3,(H,23,28)(H,22,27,29)/t15-,19?/m0/s1
InChIKeyCOVWNVRQEOERIC-FUKCDUGKSA-N
XLogP1.40
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-((2-methylbenzyl)thio)-N-propylacetamide
CID 24982017
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 25163849
N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-5-keto-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CID 24816584
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24983013
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25102521
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7a-methyl-N-(3-methylbutyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24687894
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40182092
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide
CID 24687377
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7a-methyl-5-oxo-N-propyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24980512
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 24980744
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide
CID 27874591

Frequently Asked Questions

What is the IUPAC name of (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 70682718) is (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide is Cc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NC(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is COVWNVRQEOERIC-FUKCDUGKSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-13-10-24(20(29)22-17(13)27)11-16(26)25-15(18(28)23-21(2,3)4)12-30-19(25)14-8-6-5-7-9-14/h5-10,15,19H,11-12H2,1-4H3,(H,23,28)(H,22,27,29)/t15-,19?/m0/s1.
What are the key properties of (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 70682718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).