4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine

C15H15N3OS2 — CID 2215751

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3sc(C)nc3C)cs2)c1
InChIInChI=1S/C15H15N3OS2/c1-9-14(21-10(2)16-9)13-8-20-15(18-13)17-11-5-4-6-12(7-11)19-3/h4-8H,1-3H3,(H,17,18)
InChIKeyPOTDIBTZTJWIHB-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.64
Rot. Bonds4

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 2215751) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID2215751
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3sc(C)nc3C)cs2)c1
InChIInChI=1S/C15H15N3OS2/c1-9-14(21-10(2)16-9)13-8-20-15(18-13)17-11-5-4-6-12(7-11)19-3/h4-8H,1-3H3,(H,17,18)
InChIKeyPOTDIBTZTJWIHB-UHFFFAOYSA-N
XLogP4.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine (CID 2215751) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3sc(C)nc3C)cs2)c1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is POTDIBTZTJWIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9-14(21-10(2)16-9)13-8-20-15(18-13)17-11-5-4-6-12(7-11)19-3/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 317.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2215751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).