4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C16H21N3O3S — CID 22585415

IUPAC4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCOCc1nc(N2CCCC2)sc1C(=O)NCc1ccco1
InChIInChI=1S/C16H21N3O3S/c1-2-21-11-13-14(15(20)17-10-12-6-5-9-22-12)23-16(18-13)19-7-3-4-8-19/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,20)
InChIKeyTWFWCDDMBUUVEY-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.80
Rot. Bonds7

About 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 22585415) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID22585415
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCOCc1nc(N2CCCC2)sc1C(=O)NCc1ccco1
InChIInChI=1S/C16H21N3O3S/c1-2-21-11-13-14(15(20)17-10-12-6-5-9-22-12)23-16(18-13)19-7-3-4-8-19/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,20)
InChIKeyTWFWCDDMBUUVEY-UHFFFAOYSA-N
XLogP2.80
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 22585415) is 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CCOCc1nc(N2CCCC2)sc1C(=O)NCc1ccco1.
What is the InChIKey of 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TWFWCDDMBUUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-21-11-13-14(15(20)17-10-12-6-5-9-22-12)23-16(18-13)19-7-3-4-8-19/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,20).
What are the key properties of 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22585415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).