oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C11H18N2OS — CID 61330085

IUPACoxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1csc(C(N)C2CCOC2)n1
InChIInChI=1S/C11H18N2OS/c1-7(2)9-6-15-11(13-9)10(12)8-3-4-14-5-8/h6-8,10H,3-5,12H2,1-2H3
InChIKeyIHYVERNUUGOXGR-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.30
Rot. Bonds3

About oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 61330085) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Nameoxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID61330085
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Nameoxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1csc(C(N)C2CCOC2)n1
InChIInChI=1S/C11H18N2OS/c1-7(2)9-6-15-11(13-9)10(12)8-3-4-14-5-8/h6-8,10H,3-5,12H2,1-2H3
InChIKeyIHYVERNUUGOXGR-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine
CID 107133271
1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61331753
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115703292
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
CID 102970245
[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720232
(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine
CID 63739540
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718953

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 61330085) is oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CC(C)c1csc(C(N)C2CCOC2)n1.
What is the InChIKey of oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is IHYVERNUUGOXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(2)9-6-15-11(13-9)10(12)8-3-4-14-5-8/h6-8,10H,3-5,12H2,1-2H3.
What are the key properties of oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61330085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).