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

C12H16N2OS — CID 63204479

IUPACN-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(-c2ccoc2)nc1C
InChIInChI=1S/C12H16N2OS/c1-4-13-8(2)11-9(3)14-12(16-11)10-5-6-15-7-10/h5-8,13H,4H2,1-3H3
InChIKeyHWULDHIVZHALRX-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.38
Rot. Bonds4

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

N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 63204479) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID63204479
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(-c2ccoc2)nc1C
InChIInChI=1S/C12H16N2OS/c1-4-13-8(2)11-9(3)14-12(16-11)10-5-6-15-7-10/h5-8,13H,4H2,1-3H3
InChIKeyHWULDHIVZHALRX-UHFFFAOYSA-N
XLogP3.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 55222339
1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 61282286
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 61281712
1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 79980269
N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61287183
N-ethyl-1-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106792889
N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61286985
1-[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62750411
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylamino]acetonitrile
CID 75521474
N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61283071
5-[1-(ethylamino)ethyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 62749881
N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55113434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 63204479) is N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1sc(-c2ccoc2)nc1C.
What is the InChIKey of N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HWULDHIVZHALRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-13-8(2)11-9(3)14-12(16-11)10-5-6-15-7-10/h5-8,13H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(furan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 63204479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).