4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine

C11H14N2S — CID 162210202

IUPAC4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N)C(C)C1=C1NC=CS1
InChIInChI=1S/C11H14N2S/c1-7-3-4-9(12)8(2)10(7)11-13-5-6-14-11/h3-6,8,13H,12H2,1-2H3
InChIKeyZSTAGBONZHJDFC-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.44
Rot. Bonds

About 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine

4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine (PubChem CID 162210202) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine
PubChem CID162210202
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N)C(C)C1=C1NC=CS1
InChIInChI=1S/C11H14N2S/c1-7-3-4-9(12)8(2)10(7)11-13-5-6-14-11/h3-6,8,13H,12H2,1-2H3
InChIKeyZSTAGBONZHJDFC-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine (CID 162210202) is 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine is CC1=CC=C(N)C(C)C1=C1NC=CS1.
What is the InChIKey of 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine?
The InChIKey is ZSTAGBONZHJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-7-3-4-9(12)8(2)10(7)11-13-5-6-14-11/h3-6,8,13H,12H2,1-2H3.
What are the key properties of 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine?
4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine has a molecular weight of 206.31 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 162210202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).