2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide

C19H25N5O2S — CID 120731282

IUPAC2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)N2CCNCC2c2cccnc2)cs1
InChIInChI=1S/C19H25N5O2S/c1-19(2,3)17(26)23-18-22-14(12-27-18)9-16(25)24-8-7-21-11-15(24)13-5-4-6-20-10-13/h4-6,10,12,15,21H,7-9,11H2,1-3H3,(H,22,23,26)
InChIKeyPTJOTRADXRCSGG-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.24
Rot. Bonds4

About 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 120731282) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID120731282
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)N2CCNCC2c2cccnc2)cs1
InChIInChI=1S/C19H25N5O2S/c1-19(2,3)17(26)23-18-22-14(12-27-18)9-16(25)24-8-7-21-11-15(24)13-5-4-6-20-10-13/h4-6,10,12,15,21H,7-9,11H2,1-3H3,(H,22,23,26)
InChIKeyPTJOTRADXRCSGG-UHFFFAOYSA-N
XLogP2.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 120730837
1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 120728863
1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 120730871
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
N-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119416389
2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 120729451
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
1-(2-pyridin-3-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 120729581
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide (CID 120731282) is 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide is CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCNCC2c2cccnc2)cs1.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is PTJOTRADXRCSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-19(2,3)17(26)23-18-22-14(12-27-18)9-16(25)24-8-7-21-11-15(24)13-5-4-6-20-10-13/h4-6,10,12,15,21H,7-9,11H2,1-3H3,(H,22,23,26).
What are the key properties of 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 120731282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).