2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C17H18N4O2S2 — CID 70734811

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)N(C)Cc2csc(-c3cccs3)n2)c(=O)n1
InChIInChI=1S/C17H18N4O2S2/c1-11-7-12(2)21(17(23)18-11)9-15(22)20(3)8-13-10-25-16(19-13)14-5-4-6-24-14/h4-7,10H,8-9H2,1-3H3
InChIKeyWFHWQFZJKYQIJI-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.70
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 70734811) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID70734811
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)N(C)Cc2csc(-c3cccs3)n2)c(=O)n1
InChIInChI=1S/C17H18N4O2S2/c1-11-7-12(2)21(17(23)18-11)9-15(22)20(3)8-13-10-25-16(19-13)14-5-4-6-24-14/h4-7,10H,8-9H2,1-3H3
InChIKeyWFHWQFZJKYQIJI-UHFFFAOYSA-N
XLogP2.70
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 70734811) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is Cc1cc(C)n(CC(=O)N(C)Cc2csc(-c3cccs3)n2)c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is WFHWQFZJKYQIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-11-7-12(2)21(17(23)18-11)9-15(22)20(3)8-13-10-25-16(19-13)14-5-4-6-24-14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 70734811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).