5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole

C9H13BrN2S — CID 83693618

IUPAC5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
SMILESCc1nc(C2CCCCN2)sc1Br
InChIInChI=1S/C9H13BrN2S/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h7,11H,2-5H2,1H3
InChIKeySEAVSHDIPJSGGM-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.03
Rot. Bonds1

About 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole

5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole (PubChem CID 83693618) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
PubChem CID83693618
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
SMILESCc1nc(C2CCCCN2)sc1Br
InChIInChI=1S/C9H13BrN2S/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h7,11H,2-5H2,1H3
InChIKeySEAVSHDIPJSGGM-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-4-methyl-5-piperidin-2-yl-1,3-thiazole
CID 116885109
4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
CID 84645394
2,5-dimethyl-4-piperidin-2-yl-1,3-thiazole
CID 82399301
5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 55084812
2-ethyl-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115027143
4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165477878
2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115042260
2-(2,5-dibromothiophen-3-yl)azepane
CID 107959791
2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 62541413
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
CID 115020841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole?
The IUPAC name of 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole (CID 83693618) is 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole.
What is the SMILES notation for 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole?
The canonical SMILES for 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole is Cc1nc(C2CCCCN2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole?
The InChIKey is SEAVSHDIPJSGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h7,11H,2-5H2,1H3.
What are the key properties of 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole?
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole has a molecular weight of 261.19 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole is sourced from PubChem (CID 83693618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).