4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine

C9H15BrN2OS — CID 79398911

IUPAC4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCOCC(Nc1nc(Br)cs1)C(C)C
InChIInChI=1S/C9H15BrN2OS/c1-6(2)7(4-13-3)11-9-12-8(10)5-14-9/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyKQVOXCWMEWOERO-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.99
Rot. Bonds5

About 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine

4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 79398911) has the molecular formula C9H15BrN2OS and a molecular weight of 279.20 g/mol. Its IUPAC name is 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID79398911
Molecular FormulaC9H15BrN2OS
Molecular Weight279.20 g/mol
Exact Mass278.01
IUPAC Name4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCOCC(Nc1nc(Br)cs1)C(C)C
InChIInChI=1S/C9H15BrN2OS/c1-6(2)7(4-13-3)11-9-12-8(10)5-14-9/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyKQVOXCWMEWOERO-UHFFFAOYSA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine (CID 79398911) is 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine is COCC(Nc1nc(Br)cs1)C(C)C.
What is the InChIKey of 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is KQVOXCWMEWOERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2OS/c1-6(2)7(4-13-3)11-9-12-8(10)5-14-9/h5-7H,4H2,1-3H3,(H,11,12).
What are the key properties of 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine?
4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 279.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79398911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).