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

C14H14N4S2 — CID 3157523

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ncccc3C)n2)s1
InChIInChI=1S/C14H14N4S2/c1-8-5-4-6-15-13(8)18-14-17-11(7-19-14)12-9(2)16-10(3)20-12/h4-7H,1-3H3,(H,15,17,18)
InChIKeyZQHYUOOGLVKSQZ-UHFFFAOYSA-N
MW302.43 g/mol
LogP4.33
Rot. Bonds3

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

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 3157523) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID3157523
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ncccc3C)n2)s1
InChIInChI=1S/C14H14N4S2/c1-8-5-4-6-15-13(8)18-14-17-11(7-19-14)12-9(2)16-10(3)20-12/h4-7H,1-3H3,(H,15,17,18)
InChIKeyZQHYUOOGLVKSQZ-UHFFFAOYSA-N
XLogP4.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 54.33
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-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 3157523) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(Nc3ncccc3C)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ZQHYUOOGLVKSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-8-5-4-6-15-13(8)18-14-17-11(7-19-14)12-9(2)16-10(3)20-12/h4-7H,1-3H3,(H,15,17,18).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 302.43 g/mol, XLogP of 4.33, 3 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-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3157523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).