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

C9H15BrN2S — CID 79399798

IUPAC4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(C)(C)N(C)c1nc(Br)cs1
InChIInChI=1S/C9H15BrN2S/c1-5-9(2,3)12(4)8-11-7(10)6-13-8/h6H,5H2,1-4H3
InChIKeyBSAVPUCBTOAXJS-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.53
Rot. Bonds3

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

4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 79399798) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID79399798
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(C)(C)N(C)c1nc(Br)cs1
InChIInChI=1S/C9H15BrN2S/c1-5-9(2,3)12(4)8-11-7(10)6-13-8/h6H,5H2,1-4H3
InChIKeyBSAVPUCBTOAXJS-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromo-1,3-thiazol-2-YL)piperidine
CID 45787499
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399412
4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399535
4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399659
4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79399802
4-Bromo-N,N-dimethyl-1,3-thiazol-2-amine
CID 18761602
1-(4-Bromo-1,3-thiazol-2-yl)-4-methylpiperazine
CID 43811061
4-Bromo-2-(pyrrolidin-1-YL)-1,3-thiazole
CID 45787500
4-Bromo-2-(4-methylpiperidin-1-YL)thiazole
CID 45787528
4-Bromo-N,N-diethylthiazol-2-amine
CID 45787717
4-bromo-N-propyl-1,3-thiazol-2-amine
CID 79399844
4-Bromo-2-(4-isopropylpiperazin-1-yl)thiazole
CID 79399887

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine (CID 79399798) is 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine is CCC(C)(C)N(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is BSAVPUCBTOAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-5-9(2,3)12(4)8-11-7(10)6-13-8/h6H,5H2,1-4H3.
What are the key properties of 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 263.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79399798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).