5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine

C10H15BrN2S — CID 130658585

IUPAC5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)C1(CNc2ncc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2S/c1-7(2)10(3-4-10)6-13-9-12-5-8(11)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyGSESWCSJXIVODK-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.75
Rot. Bonds4

About 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine

5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine (PubChem CID 130658585) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine
PubChem CID130658585
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)C1(CNc2ncc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2S/c1-7(2)10(3-4-10)6-13-9-12-5-8(11)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyGSESWCSJXIVODK-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine (CID 130658585) is 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine is CC(C)C1(CNc2ncc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is GSESWCSJXIVODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-7(2)10(3-4-10)6-13-9-12-5-8(11)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine?
5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 275.21 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130658585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).