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

C14H17N3O2S — CID 63049608

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cscn1
InChIInChI=1S/C14H17N3O2S/c18-14(11-9-20-10-16-11)15-8-12(13-4-3-7-19-13)17-5-1-2-6-17/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,15,18)
InChIKeyIANCEFQGNAPYOX-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.30
Rot. Bonds5

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

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 63049608) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
PubChem CID63049608
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cscn1
InChIInChI=1S/C14H17N3O2S/c18-14(11-9-20-10-16-11)15-8-12(13-4-3-7-19-13)17-5-1-2-6-17/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,15,18)
InChIKeyIANCEFQGNAPYOX-UHFFFAOYSA-N
XLogP2.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoxaline-2-carboxamide
CID 18152829
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
5-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130287
5-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130289
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 34859739
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51162639
2-(4-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 55930317
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide (CID 63049608) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1cscn1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IANCEFQGNAPYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-14(11-9-20-10-16-11)15-8-12(13-4-3-7-19-13)17-5-1-2-6-17/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,15,18).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).