N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C18H21N3O2S — CID 97340499

IUPACN-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc([C@H]2[C@@H](NC(=O)c3cscn3)CCN2C2CC2)c1
InChIInChI=1S/C18H21N3O2S/c1-23-14-4-2-3-12(9-14)17-15(7-8-21(17)13-5-6-13)20-18(22)16-10-24-11-19-16/h2-4,9-11,13,15,17H,5-8H2,1H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyRXQOJUFXCQMLTG-RDJZCZTQSA-N
MW343.45 g/mol
LogP2.86
Rot. Bonds5

About N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 97340499) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID97340499
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc([C@H]2[C@@H](NC(=O)c3cscn3)CCN2C2CC2)c1
InChIInChI=1S/C18H21N3O2S/c1-23-14-4-2-3-12(9-14)17-15(7-8-21(17)13-5-6-13)20-18(22)16-10-24-11-19-16/h2-4,9-11,13,15,17H,5-8H2,1H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyRXQOJUFXCQMLTG-RDJZCZTQSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386462
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 75499007
N-[(2R,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 166408983
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide
CID 120705840
N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 98891363
N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 124616649
(2S,3S)-N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyloxolane-3-carboxamide
CID 97340503
(2R,3R)-N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyloxolane-3-carboxamide
CID 97340500
6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133441721
(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 98876721
5-chloro-6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133441669
(2S,3S)-1-cyclopropyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-methoxyphenyl)pyrrolidin-3-amine
CID 124852869

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 97340499) is N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is COc1cccc([C@H]2[C@@H](NC(=O)c3cscn3)CCN2C2CC2)c1.
What is the InChIKey of N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RXQOJUFXCQMLTG-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-23-14-4-2-3-12(9-14)17-15(7-8-21(17)13-5-6-13)20-18(22)16-10-24-11-19-16/h2-4,9-11,13,15,17H,5-8H2,1H3,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97340499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).