N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C16H20N4O3S — CID 121137407

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOc1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(OC)n1
InChIInChI=1S/C16H20N4O3S/c1-22-14-18-12(19-15(20-14)23-2)10-17-13(21)16(7-3-4-8-16)11-6-5-9-24-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,21)
InChIKeyAKCVIPSGXJZCRO-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.08
Rot. Bonds6

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 121137407) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID121137407
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOc1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(OC)n1
InChIInChI=1S/C16H20N4O3S/c1-22-14-18-12(19-15(20-14)23-2)10-17-13(21)16(7-3-4-8-16)11-6-5-9-24-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,21)
InChIKeyAKCVIPSGXJZCRO-UHFFFAOYSA-N
XLogP2.08
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 122252963
N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71802934
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 120890674
N-(2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435562
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246078
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782161
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 124892579
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90581131
N-[2-(2-chlorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90623771
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71797639
1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea
CID 121137743

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 121137407) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is COc1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is AKCVIPSGXJZCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-22-14-18-12(19-15(20-14)23-2)10-17-13(21)16(7-3-4-8-16)11-6-5-9-24-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,21).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.08, 6 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]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 121137407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).