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

C15H17BrN2S — CID 116886927

IUPAC1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2sc(-c3ccc(Br)cc3)nc2C)CC1
InChIInChI=1S/C15H17BrN2S/c1-10-13(15(7-8-15)9-17-2)19-14(18-10)11-3-5-12(16)6-4-11/h3-6,17H,7-9H2,1-2H3
InChIKeyYEESXSXOUOCCJE-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.13
Rot. Bonds4

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

1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine (PubChem CID 116886927) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine
PubChem CID116886927
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2sc(-c3ccc(Br)cc3)nc2C)CC1
InChIInChI=1S/C15H17BrN2S/c1-10-13(15(7-8-15)9-17-2)19-14(18-10)11-3-5-12(16)6-4-11/h3-6,17H,7-9H2,1-2H3
InChIKeyYEESXSXOUOCCJE-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886932
1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine
CID 116887417
1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882172
2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473
(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001078
2-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylbutan-1-amine
CID 116887353
2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole
CID 86302272
1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64716452
N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61287183
2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
CID 79862990
[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865366
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropane-1-carbonitrile
CID 116886817

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine (CID 116886927) is 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine is CNCC1(c2sc(-c3ccc(Br)cc3)nc2C)CC1.
What is the InChIKey of 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine?
The InChIKey is YEESXSXOUOCCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-10-13(15(7-8-15)9-17-2)19-14(18-10)11-3-5-12(16)6-4-11/h3-6,17H,7-9H2,1-2H3.
What are the key properties of 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine?
1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine has a molecular weight of 337.29 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116886927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).