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

C21H24N3O2S+ — CID 9204934

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1
InChIInChI=1S/C21H23N3O2S/c1-15-23-19(16-8-3-2-4-9-16)20(27-15)21(25)22-14-17(18-10-7-13-26-18)24-11-5-6-12-24/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3,(H,22,25)/p+1/t17-/m0/s1
InChIKeyFQKPNZNCLVIDOO-KRWDZBQOSA-O
MW382.51 g/mol
LogP2.86
Rot. Bonds6

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

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 9204934) has the molecular formula C21H24N3O2S+ and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID9204934
Molecular FormulaC21H24N3O2S+
Molecular Weight382.51 g/mol
Exact Mass382.16
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1
InChIInChI=1S/C21H23N3O2S/c1-15-23-19(16-8-3-2-4-9-16)20(27-15)21(25)22-14-17(18-10-7-13-26-18)24-11-5-6-12-24/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3,(H,22,25)/p+1/t17-/m0/s1
InChIKeyFQKPNZNCLVIDOO-KRWDZBQOSA-O
XLogP2.86
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 46528850
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethoxybenzamide
CID 9404067
N-[2-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 2565002
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
CID 2470246
1-benzyl-5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 9461134
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944532
3-chloro-6-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide
CID 9120449
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide
CID 2481597
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 31429944
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9266520
3,4,5-triethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7972668

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 9204934) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is FQKPNZNCLVIDOO-KRWDZBQOSA-O. The full InChI is InChI=1S/C21H23N3O2S/c1-15-23-19(16-8-3-2-4-9-16)20(27-15)21(25)22-14-17(18-10-7-13-26-18)24-11-5-6-12-24/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3,(H,22,25)/p+1/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9204934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).