N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

C15H22N2S — CID 113496091

IUPACN-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCc2ccccc2CC)S1
InChIInChI=1S/C15H22N2S/c1-3-7-14-11-17-15(18-14)16-10-13-9-6-5-8-12(13)4-2/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,16,17)
InChIKeyJWRXVRXPKRTIHE-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.61
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113496091) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113496091
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCc2ccccc2CC)S1
InChIInChI=1S/C15H22N2S/c1-3-7-14-11-17-15(18-14)16-10-13-9-6-5-8-12(13)4-2/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,16,17)
InChIKeyJWRXVRXPKRTIHE-UHFFFAOYSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 113496091) is N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NCc2ccccc2CC)S1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JWRXVRXPKRTIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-7-14-11-17-15(18-14)16-10-13-9-6-5-8-12(13)4-2/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113496091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).