N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide

C14H18N4O3S — CID 121137506

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCOc1nc(CNC(=O)CCc2sccc2C)nc(OC)n1
InChIInChI=1S/C14H18N4O3S/c1-9-6-7-22-10(9)4-5-12(19)15-8-11-16-13(20-2)18-14(17-11)21-3/h6-7H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyNPHCEHUXLVZFGR-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.51
Rot. Bonds7

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide (PubChem CID 121137506) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide
PubChem CID121137506
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCOc1nc(CNC(=O)CCc2sccc2C)nc(OC)n1
InChIInChI=1S/C14H18N4O3S/c1-9-6-7-22-10(9)4-5-12(19)15-8-11-16-13(20-2)18-14(17-11)21-3/h6-7H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyNPHCEHUXLVZFGR-UHFFFAOYSA-N
XLogP1.51
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121137428
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122254357
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 121137422
3-(2-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 134056529
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 115153356
3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177697
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122246956
3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115173840
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 121196683

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide (CID 121137506) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide is COc1nc(CNC(=O)CCc2sccc2C)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide?
The InChIKey is NPHCEHUXLVZFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9-6-7-22-10(9)4-5-12(19)15-8-11-16-13(20-2)18-14(17-11)21-3/h6-7H,4-5,8H2,1-3H3,(H,15,19).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide has a molecular weight of 322.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 121137506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).