N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide

C19H22N6OS — CID 10271259

IUPACN-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2N2CCCCC2)[nH]n1
InChIInChI=1S/C19H22N6OS/c1-2-21-18(26)15-11-14(23-24-15)16-17(25-9-4-3-5-10-25)22-19(27-16)13-7-6-8-20-12-13/h6-8,11-12H,2-5,9-10H2,1H3,(H,21,26)(H,23,24)
InChIKeySVWKMEHGONIHRT-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide

N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide (PubChem CID 10271259) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
PubChem CID10271259
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2N2CCCCC2)[nH]n1
InChIInChI=1S/C19H22N6OS/c1-2-21-18(26)15-11-14(23-24-15)16-17(25-9-4-3-5-10-25)22-19(27-16)13-7-6-8-20-12-13/h6-8,11-12H,2-5,9-10H2,1H3,(H,21,26)(H,23,24)
InChIKeySVWKMEHGONIHRT-UHFFFAOYSA-N
XLogP3.34
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide (CID 10271259) is N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide is CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2N2CCCCC2)[nH]n1.
What is the InChIKey of N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is SVWKMEHGONIHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-2-21-18(26)15-11-14(23-24-15)16-17(25-9-4-3-5-10-25)22-19(27-16)13-7-6-8-20-12-13/h6-8,11-12H,2-5,9-10H2,1H3,(H,21,26)(H,23,24).
What are the key properties of N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 10271259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).