1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol

C9H15BrN2OS — CID 130667344

IUPAC1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1ncc(Br)s1
InChIInChI=1S/C9H15BrN2OS/c1-6(2)9(3,13)5-12-8-11-4-7(10)14-8/h4,6,13H,5H2,1-3H3,(H,11,12)
InChIKeyMKIKSTJAVXCWRD-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.72
Rot. Bonds4

About 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol

1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 130667344) has the molecular formula C9H15BrN2OS and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID130667344
Molecular FormulaC9H15BrN2OS
Molecular Weight279.20 g/mol
Exact Mass278.01
IUPAC Name1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1ncc(Br)s1
InChIInChI=1S/C9H15BrN2OS/c1-6(2)9(3,13)5-12-8-11-4-7(10)14-8/h4,6,13H,5H2,1-3H3,(H,11,12)
InChIKeyMKIKSTJAVXCWRD-UHFFFAOYSA-N
XLogP2.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol (CID 130667344) is 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNc1ncc(Br)s1.
What is the InChIKey of 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is MKIKSTJAVXCWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2OS/c1-6(2)9(3,13)5-12-8-11-4-7(10)14-8/h4,6,13H,5H2,1-3H3,(H,11,12).
What are the key properties of 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol?
1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 279.20 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1,3-thiazol-2-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 130667344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).