4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine

C9H13BrN2OS — CID 79398791

IUPAC4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCN(c1nc(Br)cs1)C1CC1
InChIInChI=1S/C9H13BrN2OS/c1-13-5-4-12(7-2-3-7)9-11-8(10)6-14-9/h6-7H,2-5H2,1H3
InChIKeyXIHASVKQWNTUQA-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.52
Rot. Bonds5

About 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine

4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 79398791) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID79398791
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCN(c1nc(Br)cs1)C1CC1
InChIInChI=1S/C9H13BrN2OS/c1-13-5-4-12(7-2-3-7)9-11-8(10)6-14-9/h6-7H,2-5H2,1H3
InChIKeyXIHASVKQWNTUQA-UHFFFAOYSA-N
XLogP2.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 79398791) is 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine is COCCN(c1nc(Br)cs1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is XIHASVKQWNTUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-13-5-4-12(7-2-3-7)9-11-8(10)6-14-9/h6-7H,2-5H2,1H3.
What are the key properties of 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 277.19 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79398791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).