N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C19H28N6O2S — CID 45240314

IUPACN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCN(C)c1ncc(CN2CCC(n3nccc3NC(=O)C3CCOC3)CC2)s1
InChIInChI=1S/C19H28N6O2S/c1-23(2)19-20-11-16(28-19)12-24-8-4-15(5-9-24)25-17(3-7-21-25)22-18(26)14-6-10-27-13-14/h3,7,11,14-15H,4-6,8-10,12-13H2,1-2H3,(H,22,26)
InChIKeyZZBHARXOLYQJCQ-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.22
Rot. Bonds6

About N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 45240314) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID45240314
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC NameN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCN(C)c1ncc(CN2CCC(n3nccc3NC(=O)C3CCOC3)CC2)s1
InChIInChI=1S/C19H28N6O2S/c1-23(2)19-20-11-16(28-19)12-24-8-4-15(5-9-24)25-17(3-7-21-25)22-18(26)14-6-10-27-13-14/h3,7,11,14-15H,4-6,8-10,12-13H2,1-2H3,(H,22,26)
InChIKeyZZBHARXOLYQJCQ-UHFFFAOYSA-N
XLogP2.22
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 45240314) is N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is CN(C)c1ncc(CN2CCC(n3nccc3NC(=O)C3CCOC3)CC2)s1.
What is the InChIKey of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is ZZBHARXOLYQJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-23(2)19-20-11-16(28-19)12-24-8-4-15(5-9-24)25-17(3-7-21-25)22-18(26)14-6-10-27-13-14/h3,7,11,14-15H,4-6,8-10,12-13H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45240314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).