1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

C16H25N3O2S — CID 51079603

IUPAC1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESCc1nc(CN2CCN(C(=O)CCC3CCCO3)CC2)cs1
InChIInChI=1S/C16H25N3O2S/c1-13-17-14(12-22-13)11-18-6-8-19(9-7-18)16(20)5-4-15-3-2-10-21-15/h12,15H,2-11H2,1H3
InChIKeyMFZXSIQEHBSJCK-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.05
Rot. Bonds5

About 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one (PubChem CID 51079603) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
PubChem CID51079603
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESCc1nc(CN2CCN(C(=O)CCC3CCCO3)CC2)cs1
InChIInChI=1S/C16H25N3O2S/c1-13-17-14(12-22-13)11-18-6-8-19(9-7-18)16(20)5-4-15-3-2-10-21-15/h12,15H,2-11H2,1H3
InChIKeyMFZXSIQEHBSJCK-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one with MolForge

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Related Compounds

(3aR,7aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxane-4-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379333
(3aR,7aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460879
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 124757034
3-(Oxolan-2-yl)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 53608355
8-[(2-Ethyl-1,3-thiazol-4-YL)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
CID 56887078
4-(Oxolan-2-yl)-1-[2-(propan-2-yl)-1,3-thiazole-4-carbonyl]piperidine
CID 137986233
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 40052989
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 40052991
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-2-yl)propanamide
CID 42957212
[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 45794422
Oxolan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 45807005
[4-[(2-Butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 53504421

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one (CID 51079603) is 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one is Cc1nc(CN2CCN(C(=O)CCC3CCCO3)CC2)cs1.
What is the InChIKey of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The InChIKey is MFZXSIQEHBSJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13-17-14(12-22-13)11-18-6-8-19(9-7-18)16(20)5-4-15-3-2-10-21-15/h12,15H,2-11H2,1H3.
What are the key properties of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one has a molecular weight of 323.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 51079603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).