N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

C10H11ClN2OS2 — CID 106925799

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESClc1ccc(CNCCSc2ncco2)s1
InChIInChI=1S/C10H11ClN2OS2/c11-9-2-1-8(16-9)7-12-4-6-15-10-13-3-5-14-10/h1-3,5,12H,4,6-7H2
InChIKeyYOJHMXQKNQRMBK-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.27
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106925799) has the molecular formula C10H11ClN2OS2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106925799
Molecular FormulaC10H11ClN2OS2
Molecular Weight274.80 g/mol
Exact Mass274.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESClc1ccc(CNCCSc2ncco2)s1
InChIInChI=1S/C10H11ClN2OS2/c11-9-2-1-8(16-9)7-12-4-6-15-10-13-3-5-14-10/h1-3,5,12H,4,6-7H2
InChIKeyYOJHMXQKNQRMBK-UHFFFAOYSA-N
XLogP3.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 60697538
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 55092599
N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106925785
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 62581043
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
CID 62576712
N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 106925756
N-[(5-chlorothiophen-2-yl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615198
N-[(5-chlorothiophen-2-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62848433
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 60690550
2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
CID 106925810
2-butylsulfanyl-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 62578252
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106925799) is N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is Clc1ccc(CNCCSc2ncco2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is YOJHMXQKNQRMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS2/c11-9-2-1-8(16-9)7-12-4-6-15-10-13-3-5-14-10/h1-3,5,12H,4,6-7H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 274.80 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106925799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).