(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone

C14H22N4OS — CID 126891681

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC(N3CCN(C)CC3)C2)s1
InChIInChI=1S/C14H22N4OS/c1-10-13(20-11(2)15-10)14(19)18-8-12(9-18)17-6-4-16(3)5-7-17/h12H,4-9H2,1-3H3
InChIKeyJTWNVUKCFUFZTD-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.83
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126891681) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126891681
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC(N3CCN(C)CC3)C2)s1
InChIInChI=1S/C14H22N4OS/c1-10-13(20-11(2)15-10)14(19)18-8-12(9-18)17-6-4-16(3)5-7-17/h12H,4-9H2,1-3H3
InChIKeyJTWNVUKCFUFZTD-UHFFFAOYSA-N
XLogP0.83
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017119
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 71873404
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 110082514
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343357
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 25288378
1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900489
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
[4-(2-bromoethyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033487

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126891681) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CC(N3CCN(C)CC3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is JTWNVUKCFUFZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10-13(20-11(2)15-10)14(19)18-8-12(9-18)17-6-4-16(3)5-7-17/h12H,4-9H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 294.42 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126891681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).