N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C24H23N5O3S2 — CID 17492792

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCCN(C(=O)c1ccc(SCc2cscn2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H23N5O3S2/c1-2-28(23(31)17-8-10-19(11-9-17)34-14-18-13-33-15-26-18)20-21(25)29(24(32)27-22(20)30)12-16-6-4-3-5-7-16/h3-11,13,15H,2,12,14,25H2,1H3,(H,27,30,32)
InChIKeyGQZDLVCVYIUTDL-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.58
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 17492792) has the molecular formula C24H23N5O3S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID17492792
Molecular FormulaC24H23N5O3S2
Molecular Weight493.61 g/mol
Exact Mass493.12
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCCN(C(=O)c1ccc(SCc2cscn2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H23N5O3S2/c1-2-28(23(31)17-8-10-19(11-9-17)34-14-18-13-33-15-26-18)20-21(25)29(24(32)27-22(20)30)12-16-6-4-3-5-7-16/h3-11,13,15H,2,12,14,25H2,1H3,(H,27,30,32)
InChIKeyGQZDLVCVYIUTDL-UHFFFAOYSA-N
XLogP3.58
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 7998139
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-4-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 17492792) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is CCN(C(=O)c1ccc(SCc2cscn2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is GQZDLVCVYIUTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S2/c1-2-28(23(31)17-8-10-19(11-9-17)34-14-18-13-33-15-26-18)20-21(25)29(24(32)27-22(20)30)12-16-6-4-3-5-7-16/h3-11,13,15H,2,12,14,25H2,1H3,(H,27,30,32).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 493.61 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 17492792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).