N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H24N2O2S — CID 107153777

IUPACN-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2=NCC(CC(C)(C)C)S2)cc1OC
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)9-12-10-17-15(21-12)18-11-6-7-13(19-4)14(8-11)20-5/h6-8,12H,9-10H2,1-5H3,(H,17,18)
InChIKeyFQZZCFKQMGPJSU-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.02
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153777) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153777
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2=NCC(CC(C)(C)C)S2)cc1OC
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)9-12-10-17-15(21-12)18-11-6-7-13(19-4)14(8-11)20-5/h6-8,12H,9-10H2,1-5H3,(H,17,18)
InChIKeyFQZZCFKQMGPJSU-UHFFFAOYSA-N
XLogP4.02
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107601423
N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154643
N-(3-bromo-4-methoxyphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285384
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43555122
N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153718
N-(2-bromo-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154621
N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153761
5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154056
5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154544
5-(2,2-dimethylpropyl)-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153956
5-(2,2-dimethylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154414
4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426983

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153777) is N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(NC2=NCC(CC(C)(C)C)S2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FQZZCFKQMGPJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)9-12-10-17-15(21-12)18-11-6-7-13(19-4)14(8-11)20-5/h6-8,12H,9-10H2,1-5H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 308.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).