N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C11H18N2OS — CID 116502748

IUPACN-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCC(C)c1ncc(CNC2CC2)s1
InChIInChI=1S/C11H18N2OS/c1-8(7-14-2)11-13-6-10(15-11)5-12-9-3-4-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyURQBBEGMMMXUNO-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.14
Rot. Bonds6

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

N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 116502748) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID116502748
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCC(C)c1ncc(CNC2CC2)s1
InChIInChI=1S/C11H18N2OS/c1-8(7-14-2)11-13-6-10(15-11)5-12-9-3-4-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyURQBBEGMMMXUNO-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol
CID 116503382
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 62753260
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424057
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424071
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116774396
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65390861
N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62751766
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79184432

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 116502748) is N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is COCC(C)c1ncc(CNC2CC2)s1.
What is the InChIKey of N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is URQBBEGMMMXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(7-14-2)11-13-6-10(15-11)5-12-9-3-4-9/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 226.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116502748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).