4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine

C17H17N3S — CID 11536681

IUPAC4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCCc1nc(-c2ccc(C)cc2)c(-c2ccnc(N)c2)s1
InChIInChI=1S/C17H17N3S/c1-3-15-20-16(12-6-4-11(2)5-7-12)17(21-15)13-8-9-19-14(18)10-13/h4-10H,3H2,1-2H3,(H2,18,19)
InChIKeyHBUPJXQDIOFLKD-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.33
Rot. Bonds3

About 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine

4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine (PubChem CID 11536681) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
PubChem CID11536681
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCCc1nc(-c2ccc(C)cc2)c(-c2ccnc(N)c2)s1
InChIInChI=1S/C17H17N3S/c1-3-15-20-16(12-6-4-11(2)5-7-12)17(21-15)13-8-9-19-14(18)10-13/h4-10H,3H2,1-2H3,(H2,18,19)
InChIKeyHBUPJXQDIOFLKD-UHFFFAOYSA-N
XLogP4.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine (CID 11536681) is 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine is CCc1nc(-c2ccc(C)cc2)c(-c2ccnc(N)c2)s1.
What is the InChIKey of 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The InChIKey is HBUPJXQDIOFLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-15-20-16(12-6-4-11(2)5-7-12)17(21-15)13-8-9-19-14(18)10-13/h4-10H,3H2,1-2H3,(H2,18,19).
What are the key properties of 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine has a molecular weight of 295.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 11536681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).