N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine

C13H22N2OS — CID 116968802

IUPACN,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCNC(C)(C)Cc1nc(C2CCOCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-13(2,14-3)8-12-15-11(9-17-12)10-4-6-16-7-5-10/h9-10,14H,4-8H2,1-3H3
InChIKeyZWMDAAHANDRPKQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.58
Rot. Bonds4

About N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine

N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 116968802) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID116968802
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCNC(C)(C)Cc1nc(C2CCOCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-13(2,14-3)8-12-15-11(9-17-12)10-4-6-16-7-5-10/h9-10,14H,4-8H2,1-3H3
InChIKeyZWMDAAHANDRPKQ-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentyl-1,3-thiazol-2-yl)-N,2-dimethylpropan-2-amine
CID 116968800
N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558388
N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968368
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966698
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116969214
3-methyl-2-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969790
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
4-(4-cyclobutyl-1,3-thiazol-2-yl)-3,3-dimethylbutanoic acid
CID 116968718
2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
CID 122142392
N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104744208

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine (CID 116968802) is N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine is CNC(C)(C)Cc1nc(C2CCOCC2)cs1.
What is the InChIKey of N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is ZWMDAAHANDRPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,14-3)8-12-15-11(9-17-12)10-4-6-16-7-5-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine?
N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 116968802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).