1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide

C12H20N4OS — CID 79772328

IUPAC1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1ncc(CN2CCCC2C(=O)NC)s1
InChIInChI=1S/C12H20N4OS/c1-3-14-12-15-7-9(18-12)8-16-6-4-5-10(16)11(17)13-2/h7,10H,3-6,8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyRFPPEDMHRXKWPZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.29
Rot. Bonds5

About 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide

1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 79772328) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID79772328
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1ncc(CN2CCCC2C(=O)NC)s1
InChIInChI=1S/C12H20N4OS/c1-3-14-12-15-7-9(18-12)8-16-6-4-5-10(16)11(17)13-2/h7,10H,3-6,8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyRFPPEDMHRXKWPZ-UHFFFAOYSA-N
XLogP1.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 79772328) is 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide is CCNc1ncc(CN2CCCC2C(=O)NC)s1.
What is the InChIKey of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RFPPEDMHRXKWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-14-12-15-7-9(18-12)8-16-6-4-5-10(16)11(17)13-2/h7,10H,3-6,8H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79772328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).