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

C12H16N2OS — CID 2363426

IUPACN-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCOc1ccccc1NC1=NC(C)(C)CS1
InChIInChI=1S/C12H16N2OS/c1-12(2)8-16-11(14-12)13-9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyCPOBBOSOPLSMTE-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.99
Rot. Bonds2

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

N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 2363426) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID2363426
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCOc1ccccc1NC1=NC(C)(C)CS1
InChIInChI=1S/C12H16N2OS/c1-12(2)8-16-11(14-12)13-9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyCPOBBOSOPLSMTE-UHFFFAOYSA-N
XLogP2.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine
CID 43439652
N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 616412
N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439978
N-(2-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345497
N-(2,5-diethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439757
N-(4-fluoro-2-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62516977
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 107637550
N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43555941
N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298265
N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524507
N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62522943
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 2363426) is N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is COc1ccccc1NC1=NC(C)(C)CS1.
What is the InChIKey of N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is CPOBBOSOPLSMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(2)8-16-11(14-12)13-9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2363426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).