1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine

C12H22N2OS — CID 103028643

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1nc(C)c(C)s1
InChIInChI=1S/C12H22N2OS/c1-8-9(2)16-11(14-8)6-10(13)7-12(3,4)15-5/h10H,6-7,13H2,1-5H3
InChIKeyWKXKSMBMFLCLLJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.44
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103028643) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103028643
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1nc(C)c(C)s1
InChIInChI=1S/C12H22N2OS/c1-8-9(2)16-11(14-8)6-10(13)7-12(3,4)15-5/h10H,6-7,13H2,1-5H3
InChIKeyWKXKSMBMFLCLLJ-UHFFFAOYSA-N
XLogP2.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine (CID 103028643) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is WKXKSMBMFLCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8-9(2)16-11(14-8)6-10(13)7-12(3,4)15-5/h10H,6-7,13H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103028643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).