4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

C10H18N2OS — CID 78917521

IUPAC4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(CCOC)Cc1nc(C)cs1
InChIInChI=1S/C10H18N2OS/c1-8-7-14-10(12-8)6-9(11-2)4-5-13-3/h7,9,11H,4-6H2,1-3H3
InChIKeySOFYLEGGXDOMTP-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.62
Rot. Bonds6

About 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 78917521) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID78917521
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(CCOC)Cc1nc(C)cs1
InChIInChI=1S/C10H18N2OS/c1-8-7-14-10(12-8)6-9(11-2)4-5-13-3/h7,9,11H,4-6H2,1-3H3
InChIKeySOFYLEGGXDOMTP-UHFFFAOYSA-N
XLogP1.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 55119993
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 55120357
1-(4-Methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 55120490
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55120858
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64480276
1-(4-Tert-butyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103147977
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148250
1-(4-Tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148831
4-(2,2-Difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 103148894
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149168
4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 103149494
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149501

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 78917521) is 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is CNC(CCOC)Cc1nc(C)cs1.
What is the InChIKey of 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is SOFYLEGGXDOMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-7-14-10(12-8)6-9(11-2)4-5-13-3/h7,9,11H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 78917521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).