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

C12H22ClN3S — CID 21392459

IUPAC4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
SMILESCN1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-12(2,3)10-9-16-11(13-10)15-7-5-14(4)6-8-15;/h9H,5-8H2,1-4H3;1H
InChIKeyJWTOIMWYBZZAAM-UHFFFAOYSA-N
MW275.85 g/mol
LogP2.61
Rot. Bonds1

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

4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride (PubChem CID 21392459) has the molecular formula C12H22ClN3S and a molecular weight of 275.85 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
PubChem CID21392459
Molecular FormulaC12H22ClN3S
Molecular Weight275.85 g/mol
Exact Mass275.12
IUPAC Name4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
SMILESCN1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-12(2,3)10-9-16-11(13-10)15-7-5-14(4)6-8-15;/h9H,5-8H2,1-4H3;1H
InChIKeyJWTOIMWYBZZAAM-UHFFFAOYSA-N
XLogP2.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.85
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride (CID 21392459) is 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride is CN1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl.
What is the InChIKey of 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride?
The InChIKey is JWTOIMWYBZZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S.ClH/c1-12(2,3)10-9-16-11(13-10)15-7-5-14(4)6-8-15;/h9H,5-8H2,1-4H3;1H.
What are the key properties of 4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride?
4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride has a molecular weight of 275.85 g/mol, XLogP of 2.61, 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;hydrochloride is sourced from PubChem (CID 21392459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).