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

C24H31N5O4S — CID 24687894

IUPACN-(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
SMILESCC(C)CCN(C(=O)C1CSC2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H31N5O4S/c1-15(2)10-12-27(22(32)17-14-34-24(3)11-9-18(30)29(17)24)19-20(25)28(23(33)26-21(19)31)13-16-7-5-4-6-8-16/h4-8,15,17H,9-14,25H2,1-3H3,(H,26,31,33)
InChIKeyGCRBLNBROWISAH-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.00
Rot. Bonds7

About 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

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 (PubChem CID 24687894) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID24687894
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC NameN-(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
SMILESCC(C)CCN(C(=O)C1CSC2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H31N5O4S/c1-15(2)10-12-27(22(32)17-14-34-24(3)11-9-18(30)29(17)24)19-20(25)28(23(33)26-21(19)31)13-16-7-5-4-6-8-16/h4-8,15,17H,9-14,25H2,1-3H3,(H,26,31,33)
InChIKeyGCRBLNBROWISAH-UHFFFAOYSA-N
XLogP2.00
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCN(C(=O)C1CSC2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is GCRBLNBROWISAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-15(2)10-12-27(22(32)17-14-34-24(3)11-9-18(30)29(17)24)19-20(25)28(23(33)26-21(19)31)13-16-7-5-4-6-8-16/h4-8,15,17H,9-14,25H2,1-3H3,(H,26,31,33).
What are the key properties of 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?
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 has a molecular weight of 485.61 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24687894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).