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

C11H19N5O2S — CID 116665126

IUPAC[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone
SMILESCOCCNc1nc(N)c(C(=O)N2CCC(N)C2)s1
InChIInChI=1S/C11H19N5O2S/c1-18-5-3-14-11-15-9(13)8(19-11)10(17)16-4-2-7(12)6-16/h7H,2-6,12-13H2,1H3,(H,14,15)
InChIKeyMZMOSFLETORASQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.04
Rot. Bonds5

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

[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone (PubChem CID 116665126) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone
PubChem CID116665126
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone
SMILESCOCCNc1nc(N)c(C(=O)N2CCC(N)C2)s1
InChIInChI=1S/C11H19N5O2S/c1-18-5-3-14-11-15-9(13)8(19-11)10(17)16-4-2-7(12)6-16/h7H,2-6,12-13H2,1H3,(H,14,15)
InChIKeyMZMOSFLETORASQ-UHFFFAOYSA-N
XLogP-0.04
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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]-(2-ethylthiomorpholin-4-yl)methanone
CID 116673471
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 116670716
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone
CID 116665156
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116666572
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004
[3-(aminomethyl)pyrrolidin-1-yl]-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
CID 116665159
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672456
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone (CID 116665126) is [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone is COCCNc1nc(N)c(C(=O)N2CCC(N)C2)s1.
What is the InChIKey of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone?
The InChIKey is MZMOSFLETORASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-18-5-3-14-11-15-9(13)8(19-11)10(17)16-4-2-7(12)6-16/h7H,2-6,12-13H2,1H3,(H,14,15).
What are the key properties of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone?
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone has a molecular weight of 285.37 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone is sourced from PubChem (CID 116665126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).