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

C16H26N2OS — CID 114368047

IUPACN-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1sc(C2CCCOC2)nc1C1CC1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)17-9-13-14(11-6-7-11)18-15(20-13)12-5-4-8-19-10-12/h11-12,17H,4-10H2,1-3H3
InChIKeyYHLYUEYQHIGQOK-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.80
Rot. Bonds4

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

N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114368047) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114368047
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1sc(C2CCCOC2)nc1C1CC1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)17-9-13-14(11-6-7-11)18-15(20-13)12-5-4-8-19-10-12/h11-12,17H,4-10H2,1-3H3
InChIKeyYHLYUEYQHIGQOK-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367975
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364493
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361278
2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65333979
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364662
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366837
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63917133
N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368103
N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81177510
N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368059

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114368047) is N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1sc(C2CCCOC2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YHLYUEYQHIGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,3)17-9-13-14(11-6-7-11)18-15(20-13)12-5-4-8-19-10-12/h11-12,17H,4-10H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 294.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114368047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).