2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole

C8H12BrN3S — CID 66520947

IUPAC2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2cnc(Br)s2)CC1
InChIInChI=1S/C8H12BrN3S/c1-11-2-4-12(5-3-11)7-6-10-8(9)13-7/h6H,2-5H2,1H3
InChIKeyYFUVLUVKIVAFBS-UHFFFAOYSA-N
MW262.18 g/mol
LogP1.66
Rot. Bonds1

About 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole

2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 66520947) has the molecular formula C8H12BrN3S and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID66520947
Molecular FormulaC8H12BrN3S
Molecular Weight262.18 g/mol
Exact Mass260.99
IUPAC Name2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2cnc(Br)s2)CC1
InChIInChI=1S/C8H12BrN3S/c1-11-2-4-12(5-3-11)7-6-10-8(9)13-7/h6H,2-5H2,1H3
InChIKeyYFUVLUVKIVAFBS-UHFFFAOYSA-N
XLogP1.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60076349
5-Dimethylamino-2-methylthiothiazole
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CID 66521274
2-bromo-N,N-dipropyl-1,3-thiazol-5-amine
CID 102518252
2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine
CID 102518253
5-Piperidin-1-yl-1,3-thiazole
CID 18461130
N,N-dimethyl-1,3-thiazol-5-amine
CID 18730110
2-[(4-Methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738460
2-Methyl-5-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 20312954
2-chloro-N,N-dimethyl-1,3-thiazol-5-amine
CID 54465042
2-Bromo-5-isocyano-1,3-thiazole
CID 58042916
2-Bromo-5-piperidinothiazole
CID 59019240

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 66520947) is 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole is CN1CCN(c2cnc(Br)s2)CC1.
What is the InChIKey of 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is YFUVLUVKIVAFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3S/c1-11-2-4-12(5-3-11)7-6-10-8(9)13-7/h6H,2-5H2,1H3.
What are the key properties of 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole?
2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 262.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 66520947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).