2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C19H29N3O3S — CID 53149511

IUPAC2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C19H29N3O3S/c1-13(2)17(23)20-8-5-15-12-26-18(21-15)14-6-9-22(10-7-14)19(24)16-4-3-11-25-16/h12-14,16H,3-11H2,1-2H3,(H,20,23)
InChIKeyOYZFZVZZWDFTSX-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.34
Rot. Bonds6

About 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide

2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 53149511) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID53149511
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C19H29N3O3S/c1-13(2)17(23)20-8-5-15-12-26-18(21-15)14-6-9-22(10-7-14)19(24)16-4-3-11-25-16/h12-14,16H,3-11H2,1-2H3,(H,20,23)
InChIKeyOYZFZVZZWDFTSX-UHFFFAOYSA-N
XLogP2.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24790870
3-{1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 24790907
1'-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 16188730
8-[(2-Methyl-1,3-thiazol-4-yl)acetyl]-2-(tetrahydro-2-furanylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72873979
N-(2-{2-[1-(2-methoxyacetyl)-3-piperidyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 53149575
N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71830157
N-(2-{2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)cyclopropanecarboxamide
CID 71841709
N-(2-{2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)propanamide
CID 71841779
N-({2-[1-(tetrahydro-2-furanylcarbonyl)-4-piperidyl]-1,3-thiazol-4-yl}methyl)-1-cyclobutanecarboxamide
CID 86771475
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 45814405
N-[1-(oxolan-2-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45823519
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 60291072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 53149511) is 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CC(C)C(=O)NCCc1csc(C2CCN(C(=O)C3CCCO3)CC2)n1.
What is the InChIKey of 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is OYZFZVZZWDFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-13(2)17(23)20-8-5-15-12-26-18(21-15)14-6-9-22(10-7-14)19(24)16-4-3-11-25-16/h12-14,16H,3-11H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 379.53 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 53149511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).