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

C13H18N2OS — CID 2345334

IUPACN-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCOc1ccc(C)cc1NC1=NC(C)(C)CS1
InChIInChI=1S/C13H18N2OS/c1-9-5-6-11(16-4)10(7-9)14-12-15-13(2,3)8-17-12/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyBYDDDLOHMINCJR-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.30
Rot. Bonds2

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

N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 2345334) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID2345334
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCOc1ccc(C)cc1NC1=NC(C)(C)CS1
InChIInChI=1S/C13H18N2OS/c1-9-5-6-11(16-4)10(7-9)14-12-15-13(2,3)8-17-12/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyBYDDDLOHMINCJR-UHFFFAOYSA-N
XLogP3.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 2345334) is N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is COc1ccc(C)cc1NC1=NC(C)(C)CS1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is BYDDDLOHMINCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-5-6-11(16-4)10(7-9)14-12-15-13(2,3)8-17-12/h5-7H,8H2,1-4H3,(H,14,15).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2345334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).