1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide

C12H18N4O2S — CID 66390645

IUPAC1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1csc(CCN)n1
InChIInChI=1S/C12H18N4O2S/c1-14-11(17)9-3-2-6-16(9)12(18)8-7-19-10(15-8)4-5-13/h7,9H,2-6,13H2,1H3,(H,14,17)
InChIKeyVMWRCFQDHLHRMQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.01
Rot. Bonds4

About 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide

1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 66390645) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID66390645
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1csc(CCN)n1
InChIInChI=1S/C12H18N4O2S/c1-14-11(17)9-3-2-6-16(9)12(18)8-7-19-10(15-8)4-5-13/h7,9H,2-6,13H2,1H3,(H,14,17)
InChIKeyVMWRCFQDHLHRMQ-UHFFFAOYSA-N
XLogP-0.01
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 120622964
1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 66390837
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
ethyl 4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 116697871
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 66389353
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120645469
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 120634912
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 120632846
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 120627587
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 66375876

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide (CID 66390645) is 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1csc(CCN)n1.
What is the InChIKey of 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VMWRCFQDHLHRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-14-11(17)9-3-2-6-16(9)12(18)8-7-19-10(15-8)4-5-13/h7,9H,2-6,13H2,1H3,(H,14,17).
What are the key properties of 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66390645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).