1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone

C11H16N2O2S — CID 64543634

IUPAC1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCOCCN(c1nc(C(C)=O)cs1)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-8(14)10-7-16-11(12-10)13(5-6-15-2)9-3-4-9/h7,9H,3-6H2,1-2H3
InChIKeyYAVSQPXNTMZTGB-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone

1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone (PubChem CID 64543634) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
PubChem CID64543634
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCOCCN(c1nc(C(C)=O)cs1)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-8(14)10-7-16-11(12-10)13(5-6-15-2)9-3-4-9/h7,9H,3-6H2,1-2H3
InChIKeyYAVSQPXNTMZTGB-UHFFFAOYSA-N
XLogP1.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 79398791
1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543850
1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544241
1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750474
5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697259
1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544014
methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569715
1-[2-[cyclopentylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544442
3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid
CID 62961345
4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 61452485
2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568985
2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol
CID 79400025

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone (CID 64543634) is 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone is COCCN(c1nc(C(C)=O)cs1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is YAVSQPXNTMZTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(14)10-7-16-11(12-10)13(5-6-15-2)9-3-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone?
1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 240.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).