5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C15H21N5OS — CID 97217745

IUPAC5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(CN2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)s1
InChIInChI=1S/C15H21N5OS/c1-9-14(22-10(2)17-9)8-20-5-3-4-11(7-20)12-6-13(15(16)21)19-18-12/h6,11H,3-5,7-8H2,1-2H3,(H2,16,21)(H,18,19)/t11-/m0/s1
InChIKeyPHLDGKTZKQZNLS-NSHDSACASA-N
MW319.43 g/mol
LogP1.96
Rot. Bonds4

About 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 97217745) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID97217745
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(CN2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)s1
InChIInChI=1S/C15H21N5OS/c1-9-14(22-10(2)17-9)8-20-5-3-4-11(7-20)12-6-13(15(16)21)19-18-12/h6,11H,3-5,7-8H2,1-2H3,(H2,16,21)(H,18,19)/t11-/m0/s1
InChIKeyPHLDGKTZKQZNLS-NSHDSACASA-N
XLogP1.96
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 97217745) is 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1nc(C)c(CN2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)s1.
What is the InChIKey of 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is PHLDGKTZKQZNLS-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5OS/c1-9-14(22-10(2)17-9)8-20-5-3-4-11(7-20)12-6-13(15(16)21)19-18-12/h6,11H,3-5,7-8H2,1-2H3,(H2,16,21)(H,18,19)/t11-/m0/s1.
What are the key properties of 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97217745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).