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

C14H24N2O2S — CID 114366610

IUPACN-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(C(OC)C(C)C)sc1CNC1CC1
InChIInChI=1S/C14H24N2O2S/c1-9(2)13(18-4)14-16-11(8-17-3)12(19-14)7-15-10-5-6-10/h9-10,13,15H,5-8H2,1-4H3
InChIKeyNTIRIRHZQUVCBA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.88
Rot. Bonds8

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

N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114366610) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114366610
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(C(OC)C(C)C)sc1CNC1CC1
InChIInChI=1S/C14H24N2O2S/c1-9(2)13(18-4)14-16-11(8-17-3)12(19-14)7-15-10-5-6-10/h9-10,13,15H,5-8H2,1-4H3
InChIKeyNTIRIRHZQUVCBA-UHFFFAOYSA-N
XLogP2.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114366610) is N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is COCc1nc(C(OC)C(C)C)sc1CNC1CC1.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is NTIRIRHZQUVCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-9(2)13(18-4)14-16-11(8-17-3)12(19-14)7-15-10-5-6-10/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 284.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114366610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).