4-bromo-N,N-dimethyl-1,3-thiazol-2-amine

C5H7BrN2S — CID 18761602

IUPAC4-bromo-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Br)cs1
InChIInChI=1S/C5H7BrN2S/c1-8(2)5-7-4(6)3-9-5/h3H,1-2H3
InChIKeyJQIGVPZFJHWNID-UHFFFAOYSA-N
MW207.10 g/mol
LogP1.97
Rot. Bonds1

About 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine

4-bromo-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 18761602) has the molecular formula C5H7BrN2S and a molecular weight of 207.10 g/mol. Its IUPAC name is 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID18761602
Molecular FormulaC5H7BrN2S
Molecular Weight207.10 g/mol
Exact Mass205.95
IUPAC Name4-bromo-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Br)cs1
InChIInChI=1S/C5H7BrN2S/c1-8(2)5-7-4(6)3-9-5/h3H,1-2H3
InChIKeyJQIGVPZFJHWNID-UHFFFAOYSA-N
XLogP1.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine (CID 18761602) is 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is JQIGVPZFJHWNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2S/c1-8(2)5-7-4(6)3-9-5/h3H,1-2H3.
What are the key properties of 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine?
4-bromo-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 207.10 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 18761602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).