2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

C15H23N7OS — CID 70767752

IUPAC2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nnc(C2CCCN(c3nc(C(N)=O)cs3)C2)n1C
InChIInChI=1S/C15H23N7OS/c1-20(2)8-12-18-19-14(21(12)3)10-5-4-6-22(7-10)15-17-11(9-24-15)13(16)23/h9-10H,4-8H2,1-3H3,(H2,16,23)
InChIKeyYXSUEIRKWOYXJP-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.82
Rot. Bonds5

About 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 70767752) has the molecular formula C15H23N7OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID70767752
Molecular FormulaC15H23N7OS
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC Name2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nnc(C2CCCN(c3nc(C(N)=O)cs3)C2)n1C
InChIInChI=1S/C15H23N7OS/c1-20(2)8-12-18-19-14(21(12)3)10-5-4-6-22(7-10)15-17-11(9-24-15)13(16)23/h9-10H,4-8H2,1-3H3,(H2,16,23)
InChIKeyYXSUEIRKWOYXJP-UHFFFAOYSA-N
XLogP0.82
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (CID 70767752) is 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is CN(C)Cc1nnc(C2CCCN(c3nc(C(N)=O)cs3)C2)n1C.
What is the InChIKey of 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YXSUEIRKWOYXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7OS/c1-20(2)8-12-18-19-14(21(12)3)10-5-4-6-22(7-10)15-17-11(9-24-15)13(16)23/h9-10H,4-8H2,1-3H3,(H2,16,23).
What are the key properties of 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70767752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).