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

C15H24N2OS — CID 82437005

IUPACN-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1sc(C2CCCO2)nc1C1CC1
InChIInChI=1S/C15H24N2OS/c1-3-10(2)16-9-13-14(11-6-7-11)17-15(19-13)12-5-4-8-18-12/h10-12,16H,3-9H2,1-2H3
InChIKeyOFYNIUCXWIUXBU-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.76
Rot. Bonds6

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

N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine (PubChem CID 82437005) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
PubChem CID82437005
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1sc(C2CCCO2)nc1C1CC1
InChIInChI=1S/C15H24N2OS/c1-3-10(2)16-9-13-14(11-6-7-11)17-15(19-13)12-5-4-8-18-12/h10-12,16H,3-9H2,1-2H3
InChIKeyOFYNIUCXWIUXBU-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine with MolForge

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Related Compounds

N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82438000
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82432255
[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434676
N-methyl-1-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 65328159
N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367655
N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63916963
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364662
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436887
[4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361926
N-[[4-(2-methylpropyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369085
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine (CID 82437005) is N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine is CCC(C)NCc1sc(C2CCCO2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The InChIKey is OFYNIUCXWIUXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-10(2)16-9-13-14(11-6-7-11)17-15(19-13)12-5-4-8-18-12/h10-12,16H,3-9H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine has a molecular weight of 280.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 82437005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).