N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C16H23N5OS — CID 172899622

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1nc(N2CCCC(NC(=O)c3cc(C)n(C)n3)C2)sc1C
InChIInChI=1S/C16H23N5OS/c1-10-8-14(19-20(10)4)15(22)18-13-6-5-7-21(9-13)16-17-11(2)12(3)23-16/h8,13H,5-7,9H2,1-4H3,(H,18,22)
InChIKeyCWGAVTYWFQQNRJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.20
Rot. Bonds3

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 172899622) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID172899622
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1nc(N2CCCC(NC(=O)c3cc(C)n(C)n3)C2)sc1C
InChIInChI=1S/C16H23N5OS/c1-10-8-14(19-20(10)4)15(22)18-13-6-5-7-21(9-13)16-17-11(2)12(3)23-16/h8,13H,5-7,9H2,1-4H3,(H,18,22)
InChIKeyCWGAVTYWFQQNRJ-UHFFFAOYSA-N
XLogP2.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 172899622) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1nc(N2CCCC(NC(=O)c3cc(C)n(C)n3)C2)sc1C.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CWGAVTYWFQQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-10-8-14(19-20(10)4)15(22)18-13-6-5-7-21(9-13)16-17-11(2)12(3)23-16/h8,13H,5-7,9H2,1-4H3,(H,18,22).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172899622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).