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

C15H15N3S2 — CID 3157522

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3sc(C)nc3C)cs2)c1
InChIInChI=1S/C15H15N3S2/c1-9-5-4-6-12(7-9)17-15-18-13(8-19-15)14-10(2)16-11(3)20-14/h4-8H,1-3H3,(H,17,18)
InChIKeyRJZWRNKQEIFWNX-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.94
Rot. Bonds3

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

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 3157522) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID3157522
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3sc(C)nc3C)cs2)c1
InChIInChI=1S/C15H15N3S2/c1-9-5-4-6-12(7-9)17-15-18-13(8-19-15)14-10(2)16-11(3)20-14/h4-8H,1-3H3,(H,17,18)
InChIKeyRJZWRNKQEIFWNX-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 3157522) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3sc(C)nc3C)cs2)c1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is RJZWRNKQEIFWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-9-5-4-6-12(7-9)17-15-18-13(8-19-15)14-10(2)16-11(3)20-14/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 301.44 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3157522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).