5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide

C16H21ClN6OS — CID 122254573

IUPAC5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2ccc(Cl)s2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H21ClN6OS/c1-22(2)15-19-13(10-18-14(24)11-6-7-12(17)25-11)20-16(21-15)23-8-4-3-5-9-23/h6-7H,3-5,8-10H2,1-2H3,(H,18,24)
InChIKeyWNDOEXKVGKVSPD-UHFFFAOYSA-N
MW380.91 g/mol
LogP2.57
Rot. Bonds5

About 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 122254573) has the molecular formula C16H21ClN6OS and a molecular weight of 380.91 g/mol. Its IUPAC name is 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
PubChem CID122254573
Molecular FormulaC16H21ClN6OS
Molecular Weight380.91 g/mol
Exact Mass380.12
IUPAC Name5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2ccc(Cl)s2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H21ClN6OS/c1-22(2)15-19-13(10-18-14(24)11-6-7-12(17)25-11)20-16(21-15)23-8-4-3-5-9-23/h6-7H,3-5,8-10H2,1-2H3,(H,18,24)
InChIKeyWNDOEXKVGKVSPD-UHFFFAOYSA-N
XLogP2.57
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.91
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide (CID 122254573) is 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide is CN(C)c1nc(CNC(=O)c2ccc(Cl)s2)nc(N2CCCCC2)n1.
What is the InChIKey of 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is WNDOEXKVGKVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6OS/c1-22(2)15-19-13(10-18-14(24)11-6-7-12(17)25-11)20-16(21-15)23-8-4-3-5-9-23/h6-7H,3-5,8-10H2,1-2H3,(H,18,24).
What are the key properties of 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 380.91 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 122254573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).