1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

C15H15BrN4S — CID 66380198

IUPAC1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc3cc(Br)ccc3n2C2CC2)cs1
InChIInChI=1S/C15H15BrN4S/c1-8(17)15-19-12(7-21-15)14-18-11-6-9(16)2-5-13(11)20(14)10-3-4-10/h2,5-8,10H,3-4,17H2,1H3
InChIKeyDSUZBJNQEQHQHS-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.28
Rot. Bonds3

About 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66380198) has the molecular formula C15H15BrN4S and a molecular weight of 363.28 g/mol. Its IUPAC name is 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66380198
Molecular FormulaC15H15BrN4S
Molecular Weight363.28 g/mol
Exact Mass362.02
IUPAC Name1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc3cc(Br)ccc3n2C2CC2)cs1
InChIInChI=1S/C15H15BrN4S/c1-8(17)15-19-12(7-21-15)14-18-11-6-9(16)2-5-13(11)20(14)10-3-4-10/h2,5-8,10H,3-4,17H2,1H3
InChIKeyDSUZBJNQEQHQHS-UHFFFAOYSA-N
XLogP4.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 66380198) is 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc3cc(Br)ccc3n2C2CC2)cs1.
What is the InChIKey of 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is DSUZBJNQEQHQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4S/c1-8(17)15-19-12(7-21-15)14-18-11-6-9(16)2-5-13(11)20(14)10-3-4-10/h2,5-8,10H,3-4,17H2,1H3.
What are the key properties of 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 363.28 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66380198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).