[2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

C12H22N2O2S — CID 114361610

IUPAC[2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C(OC)C(C)(C)C)sc1CN
InChIInChI=1S/C12H22N2O2S/c1-12(2,3)10(16-5)11-14-8(7-15-4)9(6-13)17-11/h10H,6-7,13H2,1-5H3
InChIKeyOPBGUYQGCPGRKZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.48
Rot. Bonds5

About [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

[2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361610) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361610
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name[2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C(OC)C(C)(C)C)sc1CN
InChIInChI=1S/C12H22N2O2S/c1-12(2,3)10(16-5)11-14-8(7-15-4)9(6-13)17-11/h10H,6-7,13H2,1-5H3
InChIKeyOPBGUYQGCPGRKZ-UHFFFAOYSA-N
XLogP2.48
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
CID 114361701
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361227
[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 104840940
N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730572
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509657
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107509729
N'-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510417
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82439989

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 114361610) is [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(C(OC)C(C)(C)C)sc1CN.
What is the InChIKey of [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OPBGUYQGCPGRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-12(2,3)10(16-5)11-14-8(7-15-4)9(6-13)17-11/h10H,6-7,13H2,1-5H3.
What are the key properties of [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 258.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).