4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine

C7H11BrN2S — CID 79398892

IUPAC4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)N(C)c1nc(Br)cs1
InChIInChI=1S/C7H11BrN2S/c1-5(2)10(3)7-9-6(8)4-11-7/h4-5H,1-3H3
InChIKeyKHMUQZIEPZHMFH-UHFFFAOYSA-N
MW235.15 g/mol
LogP2.75
Rot. Bonds2

About 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine

4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79398892) has the molecular formula C7H11BrN2S and a molecular weight of 235.15 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79398892
Molecular FormulaC7H11BrN2S
Molecular Weight235.15 g/mol
Exact Mass233.98
IUPAC Name4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)N(C)c1nc(Br)cs1
InChIInChI=1S/C7H11BrN2S/c1-5(2)10(3)7-9-6(8)4-11-7/h4-5H,1-3H3
InChIKeyKHMUQZIEPZHMFH-UHFFFAOYSA-N
XLogP2.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 79398892) is 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)N(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is KHMUQZIEPZHMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2S/c1-5(2)10(3)7-9-6(8)4-11-7/h4-5H,1-3H3.
What are the key properties of 4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 235.15 g/mol, XLogP of 2.75, 2 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-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79398892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).