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

C13H17BrN2S2 — CID 104841657

IUPACN-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(-c2cc(Br)cs2)sc1CNC(C)C
InChIInChI=1S/C13H17BrN2S2/c1-4-10-12(6-15-8(2)3)18-13(16-10)11-5-9(14)7-17-11/h5,7-8,15H,4,6H2,1-3H3
InChIKeyXUNSLIKTEMCQSX-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.69
Rot. Bonds5

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

N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 104841657) has the molecular formula C13H17BrN2S2 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID104841657
Molecular FormulaC13H17BrN2S2
Molecular Weight345.33 g/mol
Exact Mass344.00
IUPAC NameN-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(-c2cc(Br)cs2)sc1CNC(C)C
InChIInChI=1S/C13H17BrN2S2/c1-4-10-12(6-15-8(2)3)18-13(16-10)11-5-9(14)7-17-11/h5,7-8,15H,4,6H2,1-3H3
InChIKeyXUNSLIKTEMCQSX-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364174
N-[[2-(3-bromo-5-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841562
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841708
N-[[2-(3-bromophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364270
N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841727
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114878725
N-[[2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364132
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366575
[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 116885720
3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine
CID 116884831
N-[[2-(2-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107924104
N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841630

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 104841657) is N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1nc(-c2cc(Br)cs2)sc1CNC(C)C.
What is the InChIKey of N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XUNSLIKTEMCQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2S2/c1-4-10-12(6-15-8(2)3)18-13(16-10)11-5-9(14)7-17-11/h5,7-8,15H,4,6H2,1-3H3.
What are the key properties of N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 345.33 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 104841657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).