2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

C19H24N4O2S — CID 47925520

IUPAC2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1
InChIInChI=1S/C19H24N4O2S/c1-19(2,3)18-21-12-15(26-18)16(24)22-14-6-10-23(11-7-14)17(25)13-4-8-20-9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H,22,24)
InChIKeyKKBPUSTVCHGXCW-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.87
Rot. Bonds3

About 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 47925520) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID47925520
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1
InChIInChI=1S/C19H24N4O2S/c1-19(2,3)18-21-12-15(26-18)16(24)22-14-6-10-23(11-7-14)17(25)13-4-8-20-9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H,22,24)
InChIKeyKKBPUSTVCHGXCW-UHFFFAOYSA-N
XLogP2.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 126770959
N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide
CID 47724813
5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 60513827
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99806155
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86991925
2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 108551795

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 47925520) is 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1.
What is the InChIKey of 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KKBPUSTVCHGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-19(2,3)18-21-12-15(26-18)16(24)22-14-6-10-23(11-7-14)17(25)13-4-8-20-9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H,22,24).
What are the key properties of 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47925520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).