(4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one

C16H18N4OS — CID 138018770

IUPAC(4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](CNc2nccs2)[C@H](c2cccnc2)N1C1CC1
InChIInChI=1S/C16H18N4OS/c21-14-8-12(10-19-16-18-6-7-22-16)15(20(14)13-3-4-13)11-2-1-5-17-9-11/h1-2,5-7,9,12-13,15H,3-4,8,10H2,(H,18,19)/t12-,15-/m0/s1
InChIKeyUVFQJLDFCHALNY-WFASDCNBSA-N
MW314.41 g/mol
LogP2.70
Rot. Bonds5

About (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one

(4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one (PubChem CID 138018770) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one
PubChem CID138018770
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name(4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](CNc2nccs2)[C@H](c2cccnc2)N1C1CC1
InChIInChI=1S/C16H18N4OS/c21-14-8-12(10-19-16-18-6-7-22-16)15(20(14)13-3-4-13)11-2-1-5-17-9-11/h1-2,5-7,9,12-13,15H,3-4,8,10H2,(H,18,19)/t12-,15-/m0/s1
InChIKeyUVFQJLDFCHALNY-WFASDCNBSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one
CID 94933876
(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one
CID 128984259
(4R,5S)-1-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128987657
(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
CID 128976731
4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
CID 122360163
(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134706530
N-(2-pyridin-3-ylethyl)-1,3-thiazol-2-amine
CID 60754112
(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride
CID 154914481
(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
CID 134709742
2-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetic acid
CID 96597128
N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine
CID 59144373
(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134701916

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one (CID 138018770) is (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one is O=C1C[C@@H](CNc2nccs2)[C@H](c2cccnc2)N1C1CC1.
What is the InChIKey of (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is UVFQJLDFCHALNY-WFASDCNBSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-14-8-12(10-19-16-18-6-7-22-16)15(20(14)13-3-4-13)11-2-1-5-17-9-11/h1-2,5-7,9,12-13,15H,3-4,8,10H2,(H,18,19)/t12-,15-/m0/s1.
What are the key properties of (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one?
(4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 314.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 138018770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).