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

C10H10BrClN2S2 — CID 102835971

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1cc(Br)c(Cl)s1)c1nccs1
InChIInChI=1S/C10H10BrClN2S2/c1-6(10-13-2-3-15-10)14-5-7-4-8(11)9(12)16-7/h2-4,6,14H,5H2,1H3
InChIKeyRAFIZPRAYZXCLG-UHFFFAOYSA-N
MW337.70 g/mol
LogP4.47
Rot. Bonds4

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

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 102835971) has the molecular formula C10H10BrClN2S2 and a molecular weight of 337.70 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID102835971
Molecular FormulaC10H10BrClN2S2
Molecular Weight337.70 g/mol
Exact Mass335.92
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1cc(Br)c(Cl)s1)c1nccs1
InChIInChI=1S/C10H10BrClN2S2/c1-6(10-13-2-3-15-10)14-5-7-4-8(11)9(12)16-7/h2-4,6,14H,5H2,1H3
InChIKeyRAFIZPRAYZXCLG-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.70
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527680
(1S)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 102836876
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 83235908
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599696
N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598627
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612175
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 102832045
N-[(3-bromo-5-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79709820
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 102835971) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCc1cc(Br)c(Cl)s1)c1nccs1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is RAFIZPRAYZXCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2S2/c1-6(10-13-2-3-15-10)14-5-7-4-8(11)9(12)16-7/h2-4,6,14H,5H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 337.70 g/mol, XLogP of 4.47, 4 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]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 102835971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).