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

C15H29N3S — CID 62755193

IUPAC5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CC(C)C)C(C)C)nc1C
InChIInChI=1S/C15H29N3S/c1-8-16-12(6)14-13(7)17-15(19-14)18(11(4)5)9-10(2)3/h10-12,16H,8-9H2,1-7H3
InChIKeyJDKZZZSDQCWUMJ-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.99
Rot. Bonds7

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

5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62755193) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62755193
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC Name5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CC(C)C)C(C)C)nc1C
InChIInChI=1S/C15H29N3S/c1-8-16-12(6)14-13(7)17-15(19-14)18(11(4)5)9-10(2)3/h10-12,16H,8-9H2,1-7H3
InChIKeyJDKZZZSDQCWUMJ-UHFFFAOYSA-N
XLogP3.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 62755193) is 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine is CCNC(C)c1sc(N(CC(C)C)C(C)C)nc1C.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is JDKZZZSDQCWUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-8-16-12(6)14-13(7)17-15(19-14)18(11(4)5)9-10(2)3/h10-12,16H,8-9H2,1-7H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 283.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62755193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).