1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine

C13H20N2S — CID 166143186

IUPAC1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
SMILESCNCC1=CC=C(C2=C(C)N(C)CS2)CC1
InChIInChI=1S/C13H20N2S/c1-10-13(16-9-15(10)3)12-6-4-11(5-7-12)8-14-2/h4,6,14H,5,7-9H2,1-3H3
InChIKeyKUHSPQQOKPRISJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.72
Rot. Bonds3

About 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine

1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine (PubChem CID 166143186) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
PubChem CID166143186
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
SMILESCNCC1=CC=C(C2=C(C)N(C)CS2)CC1
InChIInChI=1S/C13H20N2S/c1-10-13(16-9-15(10)3)12-6-4-11(5-7-12)8-14-2/h4,6,14H,5,7-9H2,1-3H3
InChIKeyKUHSPQQOKPRISJ-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine (CID 166143186) is 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine is CNCC1=CC=C(C2=C(C)N(C)CS2)CC1.
What is the InChIKey of 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The InChIKey is KUHSPQQOKPRISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-13(16-9-15(10)3)12-6-4-11(5-7-12)8-14-2/h4,6,14H,5,7-9H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine has a molecular weight of 236.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine is sourced from PubChem (CID 166143186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).