5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine

C16H23N3S — CID 62769288

IUPAC5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)c2ccc(CC)cc2)nc1C
InChIInChI=1S/C16H23N3S/c1-5-13-7-9-14(10-8-13)19(4)16-18-12(3)15(20-16)11-17-6-2/h7-10,17H,5-6,11H2,1-4H3
InChIKeyKMVIDCHCRPCPMQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.89
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine

5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 62769288) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID62769288
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)c2ccc(CC)cc2)nc1C
InChIInChI=1S/C16H23N3S/c1-5-13-7-9-14(10-8-13)19(4)16-18-12(3)15(20-16)11-17-6-2/h7-10,17H,5-6,11H2,1-4H3
InChIKeyKMVIDCHCRPCPMQ-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 62769288) is 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine is CCNCc1sc(N(C)c2ccc(CC)cc2)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is KMVIDCHCRPCPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-13-7-9-14(10-8-13)19(4)16-18-12(3)15(20-16)11-17-6-2/h7-10,17H,5-6,11H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62769288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).