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

C15H19BrN2S — CID 103787159

IUPAC1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCc1cnc(CNC(CC)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H19BrN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-5-7-12(16)8-6-11/h5-9,14,17H,3-4,10H2,1-2H3
InChIKeyNNEPVFLMURCDNI-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.71
Rot. Bonds6

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

1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 103787159) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID103787159
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCc1cnc(CNC(CC)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H19BrN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-5-7-12(16)8-6-11/h5-9,14,17H,3-4,10H2,1-2H3
InChIKeyNNEPVFLMURCDNI-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 102612860
1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103786257
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 103605430
1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798
5-[[1-(4-bromophenyl)propylamino]methyl]thiophene-2-carbonitrile
CID 115675377
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 103787056
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103701865
1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787139
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 103787159) is 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCc1cnc(CNC(CC)c2ccc(Br)cc2)s1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is NNEPVFLMURCDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-5-7-12(16)8-6-11/h5-9,14,17H,3-4,10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 339.30 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 103787159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).