N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine

C13H18N2OS — CID 54965185

IUPACN-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCOCc1cccc(NC2=NC(C)(C)CS2)c1
InChIInChI=1S/C13H18N2OS/c1-13(2)9-17-12(15-13)14-11-6-4-5-10(7-11)8-16-3/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyXTCNTHDAMRSCOD-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.13
Rot. Bonds3

About N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 54965185) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID54965185
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCOCc1cccc(NC2=NC(C)(C)CS2)c1
InChIInChI=1S/C13H18N2OS/c1-13(2)9-17-12(15-13)14-11-6-4-5-10(7-11)8-16-3/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyXTCNTHDAMRSCOD-UHFFFAOYSA-N
XLogP3.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methoxymethyl)phenyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525721
N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527844
3-(methoxymethyl)-N-methylaniline
CID 23080905
N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2496498
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 107372372
N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 114263140
2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 79904677
2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile
CID 54965543
4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64556048
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550890

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 54965185) is N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine is COCc1cccc(NC2=NC(C)(C)CS2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is XTCNTHDAMRSCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-13(2)9-17-12(15-13)14-11-6-4-5-10(7-11)8-16-3/h4-7H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 54965185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).