4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C12H21N3S — CID 3085056

IUPAC4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C12H21N3S/c1-12(2,3)10-9-16-11(13-10)15-7-5-14(4)6-8-15/h9H,5-8H2,1-4H3
InChIKeyKJWKKFSEVNVWPM-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.19
Rot. Bonds1

About 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole

4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 3085056) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID3085056
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C12H21N3S/c1-12(2,3)10-9-16-11(13-10)15-7-5-14(4)6-8-15/h9H,5-8H2,1-4H3
InChIKeyKJWKKFSEVNVWPM-UHFFFAOYSA-N
XLogP2.19
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Tert-butyl-1,3-thiazol-2-yl)morpholine
CID 1490753
3-[(4-Tert-butyl-1,3-thiazol-2-yl)(2-cyanoethyl)amino]propanenitrile
CID 3244892
N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanamine;trihydrobromide
CID 76324153
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine;trihydrobromide
CID 76334977
(E)-1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine
CID 9568130
4-tert-butyl-N-methyl-1,3-thiazol-2-amine
CID 4175801
N,N,4-triethyl-1,3-thiazol-2-amine
CID 12787020
4-tert-Butyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 12910384
1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine
CID 2308583
2-(2,4-Dimethylpiperazin-1-yl)-4-methyl-1,3-thiazole
CID 53613420
4-Methyl-1-(4-trifluoromethyl-2-thiazolyl)-piperazine
CID 13747809
4-Ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
CID 70954946

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 3085056) is 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole is CN1CCN(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is KJWKKFSEVNVWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,3)10-9-16-11(13-10)15-7-5-14(4)6-8-15/h9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 3085056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).