1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

C12H18N2O2S — CID 62750474

IUPAC1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOCCN(c1nc(C)c(C(C)=O)s1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-8-11(9(2)15)17-12(13-8)14(6-7-16-3)10-4-5-10/h10H,4-7H2,1-3H3
InChIKeyGOTNJZXZXIEVTP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 62750474) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID62750474
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOCCN(c1nc(C)c(C(C)=O)s1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-8-11(9(2)15)17-12(13-8)14(6-7-16-3)10-4-5-10/h10H,4-7H2,1-3H3
InChIKeyGOTNJZXZXIEVTP-UHFFFAOYSA-N
XLogP2.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569715
5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697259
1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750809
1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543634
N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
CID 62768237
1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750125
5-acetyl-2-[cyclopropyl(3-methylbutyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697473
2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765808
ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate
CID 107377280
1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750312
1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 63690212
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765637

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 62750474) is 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is COCCN(c1nc(C)c(C(C)=O)s1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is GOTNJZXZXIEVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-11(9(2)15)17-12(13-8)14(6-7-16-3)10-4-5-10/h10H,4-7H2,1-3H3.
What are the key properties of 1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 254.35 g/mol, XLogP of 2.27, 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]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62750474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).