N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine

C16H26N2OS — CID 75380778

IUPACN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine
SMILESCC(CCC1CCCO1)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C16H26N2OS/c1-12(7-8-14-6-3-9-19-14)17-10-15-11-18-16(20-15)13-4-2-5-13/h11-14,17H,2-10H2,1H3
InChIKeyAPIFIPSYFVBPMC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.85
Rot. Bonds7

About N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine

N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine (PubChem CID 75380778) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine
PubChem CID75380778
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine
SMILESCC(CCC1CCCO1)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C16H26N2OS/c1-12(7-8-14-6-3-9-19-14)17-10-15-11-18-16(20-15)13-4-2-5-13/h11-14,17H,2-10H2,1H3
InChIKeyAPIFIPSYFVBPMC-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine (CID 75380778) is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine is CC(CCC1CCCO1)NCc1cnc(C2CCC2)s1.
What is the InChIKey of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is APIFIPSYFVBPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12(7-8-14-6-3-9-19-14)17-10-15-11-18-16(20-15)13-4-2-5-13/h11-14,17H,2-10H2,1H3.
What are the key properties of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine?
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 294.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 75380778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).