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

C14H14N4OS2 — CID 121477020

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
InChIInChI=1S/C14H14N4OS2/c1-8-13(21-9(2)16-8)11-7-20-14(17-11)18-12-5-4-10(19-3)6-15-12/h4-7H,1-3H3,(H,15,17,18)
InChIKeyZPYHZOHERCFPAF-UHFFFAOYSA-N
MW318.43 g/mol
LogP4.03
Rot. Bonds4

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

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 121477020) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID121477020
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
InChIInChI=1S/C14H14N4OS2/c1-8-13(21-9(2)16-8)11-7-20-14(17-11)18-12-5-4-10(19-3)6-15-12/h4-7H,1-3H3,(H,15,17,18)
InChIKeyZPYHZOHERCFPAF-UHFFFAOYSA-N
XLogP4.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 121477020) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ZPYHZOHERCFPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-8-13(21-9(2)16-8)11-7-20-14(17-11)18-12-5-4-10(19-3)6-15-12/h4-7H,1-3H3,(H,15,17,18).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 318.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 121477020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).