5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine

C17H24N2O2S2 — CID 54449746

IUPAC5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)c2ncc(SC(C)(C)C)s2)c(OC)c1
InChIInChI=1S/C17H24N2O2S2/c1-17(2,3)23-15-10-18-16(22-15)19(4)11-12-7-8-13(20-5)9-14(12)21-6/h7-10H,11H2,1-6H3
InChIKeyMVWXLINQJUUBGT-UHFFFAOYSA-N
MW352.53 g/mol
LogP4.69
Rot. Bonds6

About 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine

5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 54449746) has the molecular formula C17H24N2O2S2 and a molecular weight of 352.53 g/mol. Its IUPAC name is 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID54449746
Molecular FormulaC17H24N2O2S2
Molecular Weight352.53 g/mol
Exact Mass352.13
IUPAC Name5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)c2ncc(SC(C)(C)C)s2)c(OC)c1
InChIInChI=1S/C17H24N2O2S2/c1-17(2,3)23-15-10-18-16(22-15)19(4)11-12-7-8-13(20-5)9-14(12)21-6/h7-10H,11H2,1-6H3
InChIKeyMVWXLINQJUUBGT-UHFFFAOYSA-N
XLogP4.69
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 133382271
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
N-[(2,4-dimethoxyphenyl)methyl]-N-methylquinolin-2-amine
CID 175769838
2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18209236
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N'-[(2,4-dimethoxyphenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660663
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133302816
N-[(2,4-dimethoxyphenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 27774376
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 54449746) is 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine is COc1ccc(CN(C)c2ncc(SC(C)(C)C)s2)c(OC)c1.
What is the InChIKey of 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MVWXLINQJUUBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S2/c1-17(2,3)23-15-10-18-16(22-15)19(4)11-12-7-8-13(20-5)9-14(12)21-6/h7-10H,11H2,1-6H3.
What are the key properties of 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 352.53 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54449746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).