2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide

C19H21N3O3S — CID 51934328

IUPAC2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C19H21N3O3S/c1-13-17(21-19(26-13)16-7-5-11-25-16)18(23)20-12-14(15-6-4-10-24-15)22-8-2-3-9-22/h4-7,10-11,14H,2-3,8-9,12H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyGLQCQRCXMBGQKD-AWEZNQCLSA-N
MW371.46 g/mol
LogP3.87
Rot. Bonds6

About 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 51934328) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID51934328
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C19H21N3O3S/c1-13-17(21-19(26-13)16-7-5-11-25-16)18(23)20-12-14(15-6-4-10-24-15)22-8-2-3-9-22/h4-7,10-11,14H,2-3,8-9,12H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyGLQCQRCXMBGQKD-AWEZNQCLSA-N
XLogP3.87
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26004114
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 119997754
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 4808914
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 34668497
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 51934328) is 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GLQCQRCXMBGQKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-17(21-19(26-13)16-7-5-11-25-16)18(23)20-12-14(15-6-4-10-24-15)22-8-2-3-9-22/h4-7,10-11,14H,2-3,8-9,12H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51934328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).