4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine

C14H24N2OS — CID 114212216

IUPAC4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine
SMILESCC(C)(C)CCc1nc(C2(N)CCOCC2)cs1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)5-4-12-16-11(10-18-12)14(15)6-8-17-9-7-14/h10H,4-9,15H2,1-3H3
InChIKeyYYSOKHRAKJKFTA-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.09
Rot. Bonds3

About 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine

4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine (PubChem CID 114212216) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine
PubChem CID114212216
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine
SMILESCC(C)(C)CCc1nc(C2(N)CCOCC2)cs1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)5-4-12-16-11(10-18-12)14(15)6-8-17-9-7-14/h10H,4-9,15H2,1-3H3
InChIKeyYYSOKHRAKJKFTA-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61331850
3-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-3-amine
CID 103151279
4-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
CID 103151292
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
CID 103151304
2-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 103151305
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine
CID 103151318
3-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-3-amine
CID 103151326
4-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
CID 103151338
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 103151350
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
CID 103151352
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine
CID 103151366
4-[2-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine
CID 103477058

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine?
The IUPAC name of 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine (CID 114212216) is 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine.
What is the SMILES notation for 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine?
The canonical SMILES for 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine is CC(C)(C)CCc1nc(C2(N)CCOCC2)cs1.
What is the InChIKey of 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine?
The InChIKey is YYSOKHRAKJKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(2,3)5-4-12-16-11(10-18-12)14(15)6-8-17-9-7-14/h10H,4-9,15H2,1-3H3.
What are the key properties of 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine?
4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine has a molecular weight of 268.43 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine is sourced from PubChem (CID 114212216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).