N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C18H19N5O3S2 — CID 2540562

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1
InChIInChI=1S/C18H19N5O3S2/c1-11-9-27-18(20-11)28-10-13(24)22(2)14-15(19)23(17(26)21-16(14)25)8-12-6-4-3-5-7-12/h3-7,9H,8,10,19H2,1-2H3,(H,21,25,26)
InChIKeyQUTHCFPIMOSWBK-UHFFFAOYSA-N
MW417.52 g/mol
LogP1.69
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2540562) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2540562
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1
InChIInChI=1S/C18H19N5O3S2/c1-11-9-27-18(20-11)28-10-13(24)22(2)14-15(19)23(17(26)21-16(14)25)8-12-6-4-3-5-7-12/h3-7,9H,8,10,19H2,1-2H3,(H,21,25,26)
InChIKeyQUTHCFPIMOSWBK-UHFFFAOYSA-N
XLogP1.69
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2540562) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is QUTHCFPIMOSWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-11-9-27-18(20-11)28-10-13(24)22(2)14-15(19)23(17(26)21-16(14)25)8-12-6-4-3-5-7-12/h3-7,9H,8,10,19H2,1-2H3,(H,21,25,26).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 417.52 g/mol, XLogP of 1.69, 6 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-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2540562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).