3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C10H15N3O2S — CID 138997096

IUPAC3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CC(C)C(O)C2)n1
InChIInChI=1S/C10H15N3O2S/c1-6-3-13(4-8(6)14)10(15)12-9-11-7(2)5-16-9/h5-6,8,14H,3-4H2,1-2H3,(H,11,12,15)
InChIKeyJLMBQGFLODRCJM-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.30
Rot. Bonds1

About 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 138997096) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID138997096
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CC(C)C(O)C2)n1
InChIInChI=1S/C10H15N3O2S/c1-6-3-13(4-8(6)14)10(15)12-9-11-7(2)5-16-9/h5-6,8,14H,3-4H2,1-2H3,(H,11,12,15)
InChIKeyJLMBQGFLODRCJM-UHFFFAOYSA-N
XLogP1.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682851
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
2-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)morpholine-2,4-dicarboxamide
CID 75484296
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide
CID 96538355
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253
N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167903662
1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51090788
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 138997096) is 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is Cc1csc(NC(=O)N2CC(C)C(O)C2)n1.
What is the InChIKey of 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is JLMBQGFLODRCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-3-13(4-8(6)14)10(15)12-9-11-7(2)5-16-9/h5-6,8,14H,3-4H2,1-2H3,(H,11,12,15).
What are the key properties of 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 138997096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).