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

C13H15BrN2S — CID 160725077

IUPAC4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCC(C)C(C)c1sc(-c2cccnc2)nc1Br
InChIInChI=1S/C13H15BrN2S/c1-8(2)9(3)11-12(14)16-13(17-11)10-5-4-6-15-7-10/h4-9H,1-3H3
InChIKeyOFLZRZWZMPBLEC-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.73
Rot. Bonds3

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

4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 160725077) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID160725077
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCC(C)C(C)c1sc(-c2cccnc2)nc1Br
InChIInChI=1S/C13H15BrN2S/c1-8(2)9(3)11-12(14)16-13(17-11)10-5-4-6-15-7-10/h4-9H,1-3H3
InChIKeyOFLZRZWZMPBLEC-UHFFFAOYSA-N
XLogP4.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 123888341
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 123176105
4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
CID 123250863
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 100648662
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 97230992
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891375
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
4-methoxy-N-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 75498025
5-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 82106824

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole (CID 160725077) is 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole is CC(C)C(C)c1sc(-c2cccnc2)nc1Br.
What is the InChIKey of 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is OFLZRZWZMPBLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8(2)9(3)11-12(14)16-13(17-11)10-5-4-6-15-7-10/h4-9H,1-3H3.
What are the key properties of 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole?
4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 311.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 160725077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).