1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine

C13H13BrN2S — CID 116887417

IUPAC1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine
SMILESCc1nc(-c2ccc(Br)cc2)sc1C1(N)CC1
InChIInChI=1S/C13H13BrN2S/c1-8-11(13(15)6-7-13)17-12(16-8)9-2-4-10(14)5-3-9/h2-5H,6-7,15H2,1H3
InChIKeyUJDJWKGZIZUGKG-UHFFFAOYSA-N
MW309.23 g/mol
LogP3.83
Rot. Bonds2

About 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine

1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine (PubChem CID 116887417) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine
PubChem CID116887417
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC Name1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine
SMILESCc1nc(-c2ccc(Br)cc2)sc1C1(N)CC1
InChIInChI=1S/C13H13BrN2S/c1-8-11(13(15)6-7-13)17-12(16-8)9-2-4-10(14)5-3-9/h2-5H,6-7,15H2,1H3
InChIKeyUJDJWKGZIZUGKG-UHFFFAOYSA-N
XLogP3.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine (CID 116887417) is 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine is Cc1nc(-c2ccc(Br)cc2)sc1C1(N)CC1.
What is the InChIKey of 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine?
The InChIKey is UJDJWKGZIZUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2S/c1-8-11(13(15)6-7-13)17-12(16-8)9-2-4-10(14)5-3-9/h2-5H,6-7,15H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine?
1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine has a molecular weight of 309.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 116887417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).