N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

C18H20N6O2S — CID 122253516

IUPACN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCOc1nc(CNC(=O)c2ccc3ncsc3c2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H20N6O2S/c1-26-18-22-15(21-17(23-18)24-7-3-2-4-8-24)10-19-16(25)12-5-6-13-14(9-12)27-11-20-13/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,25)
InChIKeyNOKTYKFPTLHYRP-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.41
Rot. Bonds5

About N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 122253516) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID122253516
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCOc1nc(CNC(=O)c2ccc3ncsc3c2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H20N6O2S/c1-26-18-22-15(21-17(23-18)24-7-3-2-4-8-24)10-19-16(25)12-5-6-13-14(9-12)27-11-20-13/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,25)
InChIKeyNOKTYKFPTLHYRP-UHFFFAOYSA-N
XLogP2.41
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253118
3-fluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253116
3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121137658
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 121137717
5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584
3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253694
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
CID 122253252
2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
CID 121137679
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-2-carboxamide
CID 122253418
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 122253516) is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is COc1nc(CNC(=O)c2ccc3ncsc3c2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is NOKTYKFPTLHYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-26-18-22-15(21-17(23-18)24-7-3-2-4-8-24)10-19-16(25)12-5-6-13-14(9-12)27-11-20-13/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,25).
What are the key properties of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 122253516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).