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

C11H12BrClN2S2 — CID 103527680

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cc(Br)c(Cl)s1)c1nccs1
InChIInChI=1S/C11H12BrClN2S2/c1-7(11-15-2-3-16-11)5-14-6-8-4-9(12)10(13)17-8/h2-4,7,14H,5-6H2,1H3
InChIKeyCYXIQMHEUFSMKX-UHFFFAOYSA-N
MW351.72 g/mol
LogP4.51
Rot. Bonds5

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

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 103527680) has the molecular formula C11H12BrClN2S2 and a molecular weight of 351.72 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID103527680
Molecular FormulaC11H12BrClN2S2
Molecular Weight351.72 g/mol
Exact Mass349.93
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cc(Br)c(Cl)s1)c1nccs1
InChIInChI=1S/C11H12BrClN2S2/c1-7(11-15-2-3-16-11)5-14-6-8-4-9(12)10(13)17-8/h2-4,7,14H,5-6H2,1H3
InChIKeyCYXIQMHEUFSMKX-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 102835971
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 102837449
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588659
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid
CID 114127035
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 102834932
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588597

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 103527680) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNCc1cc(Br)c(Cl)s1)c1nccs1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is CYXIQMHEUFSMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2S2/c1-7(11-15-2-3-16-11)5-14-6-8-4-9(12)10(13)17-8/h2-4,7,14H,5-6H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 351.72 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 103527680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).