2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide

C13H16ClN3O2S — CID 124741356

IUPAC2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(Cl)nc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H16ClN3O2S/c1-7-11(16-13(14)20-7)12(19)15-5-8-4-10(18)17(6-8)9-2-3-9/h8-9H,2-6H2,1H3,(H,15,19)/t8-/m1/s1
InChIKeyWELGRMYDHWXGSR-MRVPVSSYSA-N
MW313.81 g/mol
LogP1.85
Rot. Bonds4

About 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide

2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 124741356) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID124741356
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(Cl)nc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H16ClN3O2S/c1-7-11(16-13(14)20-7)12(19)15-5-8-4-10(18)17(6-8)9-2-3-9/h8-9H,2-6H2,1H3,(H,15,19)/t8-/m1/s1
InChIKeyWELGRMYDHWXGSR-MRVPVSSYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 95550589
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95712406
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-2-propylpyrazole-3-carboxamide
CID 125169973
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
4-cyclopentyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 126771526
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 75500635
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 138010415
1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea
CID 99793991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 124741356) is 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(Cl)nc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WELGRMYDHWXGSR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-7-11(16-13(14)20-7)12(19)15-5-8-4-10(18)17(6-8)9-2-3-9/h8-9H,2-6H2,1H3,(H,15,19)/t8-/m1/s1.
What are the key properties of 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 313.81 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124741356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).