[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone

C12H20N4O2S — CID 116670716

IUPAC[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCOCCNc1nc(N)c(C(=O)N2CCCC2C)s1
InChIInChI=1S/C12H20N4O2S/c1-8-4-3-6-16(8)11(17)9-10(13)15-12(19-9)14-5-7-18-2/h8H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyMWTSVTCDSZFGAZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.41
Rot. Bonds5

About [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone

[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 116670716) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID116670716
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCOCCNc1nc(N)c(C(=O)N2CCCC2C)s1
InChIInChI=1S/C12H20N4O2S/c1-8-4-3-6-16(8)11(17)9-10(13)15-12(19-9)14-5-7-18-2/h8H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyMWTSVTCDSZFGAZ-UHFFFAOYSA-N
XLogP1.41
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone
CID 116663187
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone
CID 116665126
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone
CID 116673471
4-amino-N-(2-methoxycyclopentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116665167
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116666572
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 116665237
4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668887
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 116669484

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 116670716) is [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone is COCCNc1nc(N)c(C(=O)N2CCCC2C)s1.
What is the InChIKey of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is MWTSVTCDSZFGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8-4-3-6-16(8)11(17)9-10(13)15-12(19-9)14-5-7-18-2/h8H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone?
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 284.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116670716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).