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

C10H15BrN2S — CID 79400384

IUPAC4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(CC1CC1)Nc1nc(Br)cs1
InChIInChI=1S/C10H15BrN2S/c1-2-8(5-7-3-4-7)12-10-13-9(11)6-14-10/h6-8H,2-5H2,1H3,(H,12,13)
InChIKeyUBOGQACSXYMCOO-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.90
Rot. Bonds5

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

4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 79400384) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID79400384
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(CC1CC1)Nc1nc(Br)cs1
InChIInChI=1S/C10H15BrN2S/c1-2-8(5-7-3-4-7)12-10-13-9(11)6-14-10/h6-8H,2-5H2,1H3,(H,12,13)
InChIKeyUBOGQACSXYMCOO-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine (CID 79400384) is 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine is CCC(CC1CC1)Nc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is UBOGQACSXYMCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-2-8(5-7-3-4-7)12-10-13-9(11)6-14-10/h6-8H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine?
4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 275.21 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79400384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).