2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine

C13H22N2OS — CID 116884844

IUPAC2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCc1nc(C2CCOCC2)sc1CC(C)CN
InChIInChI=1S/C13H22N2OS/c1-9(8-14)7-12-10(2)15-13(17-12)11-3-5-16-6-4-11/h9,11H,3-8,14H2,1-2H3
InChIKeyHRPAXMBVQPZMNR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine

2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 116884844) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID116884844
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCc1nc(C2CCOCC2)sc1CC(C)CN
InChIInChI=1S/C13H22N2OS/c1-9(8-14)7-12-10(2)15-13(17-12)11-3-5-16-6-4-11/h9,11H,3-8,14H2,1-2H3
InChIKeyHRPAXMBVQPZMNR-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65334244
3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylpropan-1-amine
CID 116884822
4-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885464
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
3-methyl-2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887341
1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884663
2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887316
1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884662
[4-methyl-2-(thiolan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115028914
3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884746
N-methyl-1-[2-(oxan-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363589
2-amino-1-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 116886750

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine (CID 116884844) is 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine is Cc1nc(C2CCOCC2)sc1CC(C)CN.
What is the InChIKey of 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is HRPAXMBVQPZMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(8-14)7-12-10(2)15-13(17-12)11-3-5-16-6-4-11/h9,11H,3-8,14H2,1-2H3.
What are the key properties of 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 116884844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).