N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H24N2OS — CID 116730572

IUPACN-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOC(c1nc(C)c(CNC2CC2)s1)C(C)(C)C
InChIInChI=1S/C14H24N2OS/c1-9-11(8-15-10-6-7-10)18-13(16-9)12(17-5)14(2,3)4/h10,12,15H,6-8H2,1-5H3
InChIKeyMPQNKSDTRHTYMD-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.44
Rot. Bonds5

About N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 116730572) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID116730572
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOC(c1nc(C)c(CNC2CC2)s1)C(C)(C)C
InChIInChI=1S/C14H24N2OS/c1-9-11(8-15-10-6-7-10)18-13(16-9)12(17-5)14(2,3)4/h10,12,15H,6-8H2,1-5H3
InChIKeyMPQNKSDTRHTYMD-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777911
N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366610
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822
N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 114275622
N-[[2-(1-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730581
N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730560
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82425664
N-[[2-[cyclohexyl(methoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116778093
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067668
N-[[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65334244
N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730576
N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366630

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 116730572) is N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is COC(c1nc(C)c(CNC2CC2)s1)C(C)(C)C.
What is the InChIKey of N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is MPQNKSDTRHTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9-11(8-15-10-6-7-10)18-13(16-9)12(17-5)14(2,3)4/h10,12,15H,6-8H2,1-5H3.
What are the key properties of N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 268.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116730572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).