4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine

C14H19N3S — CID 64544768

IUPAC4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(N(C)c2nc(C(C)N)cs2)cc1
InChIInChI=1S/C14H19N3S/c1-4-11-5-7-12(8-6-11)17(3)14-16-13(9-18-14)10(2)15/h5-10H,4,15H2,1-3H3
InChIKeyIVPUGULGNBEHLZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.49
Rot. Bonds4

About 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine

4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 64544768) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID64544768
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(N(C)c2nc(C(C)N)cs2)cc1
InChIInChI=1S/C14H19N3S/c1-4-11-5-7-12(8-6-11)17(3)14-16-13(9-18-14)10(2)15/h5-10H,4,15H2,1-3H3
InChIKeyIVPUGULGNBEHLZ-UHFFFAOYSA-N
XLogP3.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine (CID 64544768) is 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine is CCc1ccc(N(C)c2nc(C(C)N)cs2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is IVPUGULGNBEHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-11-5-7-12(8-6-11)17(3)14-16-13(9-18-14)10(2)15/h5-10H,4,15H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64544768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).