[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine

C14H15BrN2S — CID 116865366

IUPAC[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
SMILESCc1sc(C2(CN)CC2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2S/c1-9-12(10-2-4-11(15)5-3-10)17-13(18-9)14(8-16)6-7-14/h2-5H,6-8,16H2,1H3
InChIKeyHYCFMXYHCPBSLH-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.87
Rot. Bonds3

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

[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine (PubChem CID 116865366) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
PubChem CID116865366
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
SMILESCc1sc(C2(CN)CC2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2S/c1-9-12(10-2-4-11(15)5-3-10)17-13(18-9)14(8-16)6-7-14/h2-5H,6-8,16H2,1H3
InChIKeyHYCFMXYHCPBSLH-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine (CID 116865366) is [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine is Cc1sc(C2(CN)CC2)nc1-c1ccc(Br)cc1.
What is the InChIKey of [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine?
The InChIKey is HYCFMXYHCPBSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c1-9-12(10-2-4-11(15)5-3-10)17-13(18-9)14(8-16)6-7-14/h2-5H,6-8,16H2,1H3.
What are the key properties of [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine?
[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine has a molecular weight of 323.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116865366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).