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

C17H23N5O2S — CID 122252963

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOc1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(N(C)C)n1
InChIInChI=1S/C17H23N5O2S/c1-22(2)15-19-13(20-16(21-15)24-3)11-18-14(23)17(8-4-5-9-17)12-7-6-10-25-12/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,23)
InChIKeyKIOALFGXPUHKBQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.14
Rot. Bonds6

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

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 122252963) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID122252963
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOc1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(N(C)C)n1
InChIInChI=1S/C17H23N5O2S/c1-22(2)15-19-13(20-16(21-15)24-3)11-18-14(23)17(8-4-5-9-17)12-7-6-10-25-12/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,23)
InChIKeyKIOALFGXPUHKBQ-UHFFFAOYSA-N
XLogP2.14
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 122252963) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is COc1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is KIOALFGXPUHKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-22(2)15-19-13(20-16(21-15)24-3)11-18-14(23)17(8-4-5-9-17)12-7-6-10-25-12/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,23).
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 122252963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).