N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H25N5OS — CID 120941211

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)C2(n3cccn3)CCNCC2)n1
InChIInChI=1S/C17H25N5OS/c1-16(2,3)13-12-24-14(21-13)11-19-15(23)17(5-8-18-9-6-17)22-10-4-7-20-22/h4,7,10,12,18H,5-6,8-9,11H2,1-3H3,(H,19,23)
InChIKeyDHHTXBWPQORJDB-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.03
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120941211) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120941211
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)C2(n3cccn3)CCNCC2)n1
InChIInChI=1S/C17H25N5OS/c1-16(2,3)13-12-24-14(21-13)11-19-15(23)17(5-8-18-9-6-17)22-10-4-7-20-22/h4,7,10,12,18H,5-6,8-9,11H2,1-3H3,(H,19,23)
InChIKeyDHHTXBWPQORJDB-UHFFFAOYSA-N
XLogP2.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120941211) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)(C)c1csc(CNC(=O)C2(n3cccn3)CCNCC2)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is DHHTXBWPQORJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-16(2,3)13-12-24-14(21-13)11-19-15(23)17(5-8-18-9-6-17)22-10-4-7-20-22/h4,7,10,12,18H,5-6,8-9,11H2,1-3H3,(H,19,23).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120941211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).