1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

C11H13ClN2OS — CID 103275355

IUPAC1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2ccc(Cl)s2)o1
InChIInChI=1S/C11H13ClN2OS/c1-2-8-5-14-11(15-8)7-13-6-9-3-4-10(12)16-9/h3-5,13H,2,6-7H2,1H3
InChIKeyFDWAVTACKAWLKV-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.24
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275355) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275355
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2ccc(Cl)s2)o1
InChIInChI=1S/C11H13ClN2OS/c1-2-8-5-14-11(15-8)7-13-6-9-3-4-10(12)16-9/h3-5,13H,2,6-7H2,1H3
InChIKeyFDWAVTACKAWLKV-UHFFFAOYSA-N
XLogP3.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71927240
1-[(5-chlorothiophen-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928391
5-Tert-butyl-2-[1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-1,3-oxazole
CID 72109370
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 122143495
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 52749435
(S)-5-tert-butyl-oxazole-2-carboxylic acid (1-thiophen-2-yl-ethyl)-amide
CID 11011326
5-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide
CID 57108215
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(5-chlorothiophen-2-yl)methyl]prop-2-en-1-amine
CID 52579876
1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54955011
N-(1,3-oxazol-5-ylmethyl)-1-thiophen-2-ylmethanamine
CID 61318729
1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 64196620
1-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178985

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275355) is 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2ccc(Cl)s2)o1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is FDWAVTACKAWLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-2-8-5-14-11(15-8)7-13-6-9-3-4-10(12)16-9/h3-5,13H,2,6-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 256.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).