4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine

C14H21N3OS — CID 64544545

IUPAC4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C14H21N3OS/c1-5-15-11(3)13-9-19-14(16-13)17(4)8-12-7-6-10(2)18-12/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyMSVPWMBUMXUHRA-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.35
Rot. Bonds6

About 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine

4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 64544545) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID64544545
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C14H21N3OS/c1-5-15-11(3)13-9-19-14(16-13)17(4)8-12-7-6-10(2)18-12/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyMSVPWMBUMXUHRA-UHFFFAOYSA-N
XLogP3.35
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 64542716
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 64542925
4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871475
N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64544590
4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 64544155
N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 64543756
N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64542556
N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
CID 64542752
N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545180

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine (CID 64544545) is 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine is CCNC(C)c1csc(N(C)Cc2ccc(C)o2)n1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MSVPWMBUMXUHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-15-11(3)13-9-19-14(16-13)17(4)8-12-7-6-10(2)18-12/h6-7,9,11,15H,5,8H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64544545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).