1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine

C12H20N2OS — CID 116722677

IUPAC1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCNC(Cc1cncs1)C(OC)C1CC1
InChIInChI=1S/C12H20N2OS/c1-3-14-11(6-10-7-13-8-16-10)12(15-2)9-4-5-9/h7-9,11-12,14H,3-6H2,1-2H3
InChIKeySHWVHUOABMUISV-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.09
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine

1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 116722677) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID116722677
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCNC(Cc1cncs1)C(OC)C1CC1
InChIInChI=1S/C12H20N2OS/c1-3-14-11(6-10-7-13-8-16-10)12(15-2)9-4-5-9/h7-9,11-12,14H,3-6H2,1-2H3
InChIKeySHWVHUOABMUISV-UHFFFAOYSA-N
XLogP2.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643040
3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine
CID 116771653
1-cyclopropyl-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-amine
CID 116722404
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 116716182
1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773805
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112681282
[3-methoxy-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105246868
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 116722542
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
CID 116722394
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 116765952
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642567

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine (CID 116722677) is 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine is CCNC(Cc1cncs1)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is SHWVHUOABMUISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-14-11(6-10-7-13-8-16-10)12(15-2)9-4-5-9/h7-9,11-12,14H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine?
1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 116722677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).