4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine

C15H20N2S — CID 62066653

IUPAC4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccccc1C(C)C
InChIInChI=1S/C15H20N2S/c1-4-13-14(18-15(16)17-13)9-11-7-5-6-8-12(11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17)
InChIKeyRZCRYHMUNDKDEJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.00
Rot. Bonds4

About 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine

4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62066653) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62066653
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccccc1C(C)C
InChIInChI=1S/C15H20N2S/c1-4-13-14(18-15(16)17-13)9-11-7-5-6-8-12(11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17)
InChIKeyRZCRYHMUNDKDEJ-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine (CID 62066653) is 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1ccccc1C(C)C.
What is the InChIKey of 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is RZCRYHMUNDKDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-13-14(18-15(16)17-13)9-11-7-5-6-8-12(11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17).
What are the key properties of 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine?
4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62066653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).