2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol

C14H24N2OS — CID 75513023

IUPAC2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C14H24N2OS/c1-3-10(2)13(9-17)15-7-12-8-16-14(18-12)11-5-4-6-11/h8,10-11,13,15,17H,3-7,9H2,1-2H3
InChIKeySDLAOADDEYIHDV-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.91
Rot. Bonds7

About 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol

2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol (PubChem CID 75513023) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol
PubChem CID75513023
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C14H24N2OS/c1-3-10(2)13(9-17)15-7-12-8-16-14(18-12)11-5-4-6-11/h8,10-11,13,15,17H,3-7,9H2,1-2H3
InChIKeySDLAOADDEYIHDV-UHFFFAOYSA-N
XLogP2.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol?
The IUPAC name of 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol (CID 75513023) is 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol is CCC(C)C(CO)NCc1cnc(C2CCC2)s1.
What is the InChIKey of 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol?
The InChIKey is SDLAOADDEYIHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-10(2)13(9-17)15-7-12-8-16-14(18-12)11-5-4-6-11/h8,10-11,13,15,17H,3-7,9H2,1-2H3.
What are the key properties of 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol?
2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 75513023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).