4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole

C12H20N4S — CID 66196014

IUPAC4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CC(N3CCNCC3)C2)sc1C
InChIInChI=1S/C12H20N4S/c1-9-10(2)17-12(14-9)16-7-11(8-16)15-5-3-13-4-6-15/h11,13H,3-8H2,1-2H3
InChIKeyHFKHETFYNKDVEM-UHFFFAOYSA-N
MW252.39 g/mol
LogP0.85
Rot. Bonds2

About 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole

4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole (PubChem CID 66196014) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
PubChem CID66196014
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CC(N3CCNCC3)C2)sc1C
InChIInChI=1S/C12H20N4S/c1-9-10(2)17-12(14-9)16-7-11(8-16)15-5-3-13-4-6-15/h11,13H,3-8H2,1-2H3
InChIKeyHFKHETFYNKDVEM-UHFFFAOYSA-N
XLogP0.85
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,3-thiazole
CID 121185466
5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole
CID 66196214
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 65169125
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 122160087
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-amine
CID 65168620
4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
CID 65168397
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
CID 65169259
4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 164639571
4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
CID 126946675
5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 21100189
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole
CID 102850533
(3aR,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138387409

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole (CID 66196014) is 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole is Cc1nc(N2CC(N3CCNCC3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole?
The InChIKey is HFKHETFYNKDVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-10(2)17-12(14-9)16-7-11(8-16)15-5-3-13-4-6-15/h11,13H,3-8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole has a molecular weight of 252.39 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 66196014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).