(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

C14H21N3O2S — CID 131931854

IUPAC(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(C3CCOCC3)CC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-11-15-13(10-20-11)14(18)17-6-4-16(5-7-17)12-2-8-19-9-3-12/h10,12H,2-9H2,1H3
InChIKeyBNECUDHMYMFRFA-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.39
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (PubChem CID 131931854) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
PubChem CID131931854
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(C3CCOCC3)CC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-11-15-13(10-20-11)14(18)17-6-4-16(5-7-17)12-2-8-19-9-3-12/h10,12H,2-9H2,1H3
InChIKeyBNECUDHMYMFRFA-UHFFFAOYSA-N
XLogP1.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126892840
2-methyl-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 72880854
[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199184
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 91796344
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 47444332

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (CID 131931854) is (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is Cc1nc(C(=O)N2CCN(C3CCOCC3)CC2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is BNECUDHMYMFRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11-15-13(10-20-11)14(18)17-6-4-16(5-7-17)12-2-8-19-9-3-12/h10,12H,2-9H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 295.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 131931854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).