2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

C17H18N4O3S2 — CID 92563807

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1csc([C@@H](Cc2cccs2)NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C17H18N4O3S2/c1-9-8-26-16(18-9)13(6-11-4-3-5-25-11)20-14(22)7-12-10(2)19-17(24)21-15(12)23/h3-5,8,13H,6-7H2,1-2H3,(H,20,22)(H2,19,21,23,24)/t13-/m1/s1
InChIKeyPLDORNAZQBUKQJ-CYBMUJFWSA-N
MW390.49 g/mol
LogP1.84
Rot. Bonds6

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 92563807) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID92563807
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1csc([C@@H](Cc2cccs2)NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C17H18N4O3S2/c1-9-8-26-16(18-9)13(6-11-4-3-5-25-11)20-14(22)7-12-10(2)19-17(24)21-15(12)23/h3-5,8,13H,6-7H2,1-2H3,(H,20,22)(H2,19,21,23,24)/t13-/m1/s1
InChIKeyPLDORNAZQBUKQJ-CYBMUJFWSA-N
XLogP1.84
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (CID 92563807) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is Cc1csc([C@@H](Cc2cccs2)NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)n1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is PLDORNAZQBUKQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-9-8-26-16(18-9)13(6-11-4-3-5-25-11)20-14(22)7-12-10(2)19-17(24)21-15(12)23/h3-5,8,13H,6-7H2,1-2H3,(H,20,22)(H2,19,21,23,24)/t13-/m1/s1.
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 92563807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).