N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C10H15N3O2S — CID 43594149

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1scnc1C
InChIInChI=1S/C10H15N3O2S/c1-6-9(16-5-12-6)10(14)13-7-3-11-4-8(7)15-2/h5,7-8,11H,3-4H2,1-2H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyBIALZBXUPIXOEY-MQWKRIRWSA-N
MW241.32 g/mol
LogP0.17
Rot. Bonds3

About N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 43594149) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID43594149
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1scnc1C
InChIInChI=1S/C10H15N3O2S/c1-6-9(16-5-12-6)10(14)13-7-3-11-4-8(7)15-2/h5,7-8,11H,3-4H2,1-2H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyBIALZBXUPIXOEY-MQWKRIRWSA-N
XLogP0.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 43594149) is N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is CO[C@H]1CNCC1NC(=O)c1scnc1C.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BIALZBXUPIXOEY-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-9(16-5-12-6)10(14)13-7-3-11-4-8(7)15-2/h5,7-8,11H,3-4H2,1-2H3,(H,13,14)/t7?,8-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43594149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).