3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C18H25N5O2S — CID 167892051

IUPAC3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1nscc1C(C)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H25N5O2S/c1-14(15-13-26-21-18(15)25-2)19-8-6-17(24)23-11-9-22(10-12-23)16-5-3-4-7-20-16/h3-5,7,13-14,19H,6,8-12H2,1-2H3
InChIKeyTYBATXNYGPTECK-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.94
Rot. Bonds7

About 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 167892051) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID167892051
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1nscc1C(C)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H25N5O2S/c1-14(15-13-26-21-18(15)25-2)19-8-6-17(24)23-11-9-22(10-12-23)16-5-3-4-7-20-16/h3-5,7,13-14,19H,6,8-12H2,1-2H3
InChIKeyTYBATXNYGPTECK-UHFFFAOYSA-N
XLogP1.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
3-[1-(2-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572653
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133359579
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030253

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 167892051) is 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is COc1nscc1C(C)NCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is TYBATXNYGPTECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-14(15-13-26-21-18(15)25-2)19-8-6-17(24)23-11-9-22(10-12-23)16-5-3-4-7-20-16/h3-5,7,13-14,19H,6,8-12H2,1-2H3.
What are the key properties of 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 375.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 167892051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).