4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine

C14H18N2S — CID 28864528

IUPAC4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2nc(N)sc2C(C)C)cc1
InChIInChI=1S/C14H18N2S/c1-4-10-5-7-11(8-6-10)12-13(9(2)3)17-14(15)16-12/h5-9H,4H2,1-3H3,(H2,15,16)
InChIKeyFXNFDHQWVDYALK-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.08
Rot. Bonds3

About 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine

4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 28864528) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID28864528
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2nc(N)sc2C(C)C)cc1
InChIInChI=1S/C14H18N2S/c1-4-10-5-7-11(8-6-10)12-13(9(2)3)17-14(15)16-12/h5-9H,4H2,1-3H3,(H2,15,16)
InChIKeyFXNFDHQWVDYALK-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine (CID 28864528) is 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine is CCc1ccc(-c2nc(N)sc2C(C)C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is FXNFDHQWVDYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-10-5-7-11(8-6-10)12-13(9(2)3)17-14(15)16-12/h5-9H,4H2,1-3H3,(H2,15,16).
What are the key properties of 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 28864528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).