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

C19H22N6OS — CID 46889200

IUPACN-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCCCN2)[nH]n1
InChIInChI=1S/C19H22N6OS/c1-2-21-18(26)15-10-14(24-25-15)17-16(13-7-3-4-9-22-13)23-19(27-17)12-6-5-8-20-11-12/h5-6,8,10-11,13,22H,2-4,7,9H2,1H3,(H,21,26)(H,24,25)/t13-/m0/s1
InChIKeyYIQNEUBQPDYAJG-ZDUSSCGKSA-N
MW382.49 g/mol
LogP3.16
Rot. Bonds5

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

N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 46889200) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID46889200
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCCCN2)[nH]n1
InChIInChI=1S/C19H22N6OS/c1-2-21-18(26)15-10-14(24-25-15)17-16(13-7-3-4-9-22-13)23-19(27-17)12-6-5-8-20-11-12/h5-6,8,10-11,13,22H,2-4,7,9H2,1H3,(H,21,26)(H,24,25)/t13-/m0/s1
InChIKeyYIQNEUBQPDYAJG-ZDUSSCGKSA-N
XLogP3.16
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (CID 46889200) is N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCCCN2)[nH]n1.
What is the InChIKey of N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is YIQNEUBQPDYAJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-2-21-18(26)15-10-14(24-25-15)17-16(13-7-3-4-9-22-13)23-19(27-17)12-6-5-8-20-11-12/h5-6,8,10-11,13,22H,2-4,7,9H2,1H3,(H,21,26)(H,24,25)/t13-/m0/s1.
What are the key properties of N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
N-ethyl-5-[4-[(2S)-piperidin-2-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 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46889200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).