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

C16H22ClN3S — CID 64542556

IUPACN-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN3S/c1-5-18-11(2)15-10-21-16(19-15)20(4)12(3)13-6-8-14(17)9-7-13/h6-12,18H,5H2,1-4H3
InChIKeyUTUGEWQEARMBTN-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.66
Rot. Bonds6

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

N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 64542556) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID64542556
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN3S/c1-5-18-11(2)15-10-21-16(19-15)20(4)12(3)13-6-8-14(17)9-7-13/h6-12,18H,5H2,1-4H3
InChIKeyUTUGEWQEARMBTN-UHFFFAOYSA-N
XLogP4.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 64542925
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83156958
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542717
4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871475
methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574854
4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 64544155
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543276
N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 64543756

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine (CID 64542556) is N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine is CCNC(C)c1csc(N(C)C(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UTUGEWQEARMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-5-18-11(2)15-10-21-16(19-15)20(4)12(3)13-6-8-14(17)9-7-13/h6-12,18H,5H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 323.89 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64542556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).