4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C14H17BrN4S — CID 166600976

IUPAC4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(c3ncccc3Br)CC2)cs1
InChIInChI=1S/C14H17BrN4S/c1-11-17-12(10-20-11)9-18-5-7-19(8-6-18)14-13(15)3-2-4-16-14/h2-4,10H,5-9H2,1H3
InChIKeyJWOKRCHQUDZHGF-UHFFFAOYSA-N
MW353.29 g/mol
LogP2.93
Rot. Bonds3

About 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 166600976) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID166600976
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(c3ncccc3Br)CC2)cs1
InChIInChI=1S/C14H17BrN4S/c1-11-17-12(10-20-11)9-18-5-7-19(8-6-18)14-13(15)3-2-4-16-14/h2-4,10H,5-9H2,1H3
InChIKeyJWOKRCHQUDZHGF-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133351975
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 55116545
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 24632141
5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 17446302
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 55207392
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 166600976) is 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCN(c3ncccc3Br)CC2)cs1.
What is the InChIKey of 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is JWOKRCHQUDZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c1-11-17-12(10-20-11)9-18-5-7-19(8-6-18)14-13(15)3-2-4-16-14/h2-4,10H,5-9H2,1H3.
What are the key properties of 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 353.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 166600976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).