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

C15H19BrN2S — CID 54883090

IUPAC2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCc1ncc(CNC(C)(C)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H19BrN2S/c1-4-14-17-9-13(19-14)10-18-15(2,3)11-5-7-12(16)8-6-11/h5-9,18H,4,10H2,1-3H3
InChIKeyONPLVFWOXICWIE-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.49
Rot. Bonds5

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

2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 54883090) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID54883090
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCc1ncc(CNC(C)(C)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H19BrN2S/c1-4-14-17-9-13(19-14)10-18-15(2,3)11-5-7-12(16)8-6-11/h5-9,18H,4,10H2,1-3H3
InChIKeyONPLVFWOXICWIE-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883751
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63998554
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115684330
4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 54883288
methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate
CID 60983148
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
6-[[2-(4-bromophenyl)propan-2-ylamino]methyl]pyridin-3-ol
CID 79784008
2-bromo-4-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 81263663
2-[5-[[2-(4-bromophenyl)propan-2-ylamino]methyl]thiophen-2-yl]acetic acid
CID 82887139
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrimidin-5-amine
CID 107588313

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 54883090) is 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine is CCc1ncc(CNC(C)(C)c2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is ONPLVFWOXICWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-4-14-17-9-13(19-14)10-18-15(2,3)11-5-7-12(16)8-6-11/h5-9,18H,4,10H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 54883090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).