N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

C12H23N3OS — CID 61208333

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N1CCC(CNC(=O)C2CSCN2)C1
InChIInChI=1S/C12H23N3OS/c1-9(2)15-4-3-10(6-15)5-13-12(16)11-7-17-8-14-11/h9-11,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyWQZBCFBVNWFNAG-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.50
Rot. Bonds4

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 61208333) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID61208333
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N1CCC(CNC(=O)C2CSCN2)C1
InChIInChI=1S/C12H23N3OS/c1-9(2)15-4-3-10(6-15)5-13-12(16)11-7-17-8-14-11/h9-11,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyWQZBCFBVNWFNAG-UHFFFAOYSA-N
XLogP0.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854849
2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 106739669
(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119290243
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 79081953
N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 65036326
N-(2-cyclopropylpropyl)-1,3-thiazolidine-4-carboxamide
CID 115733848
N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908667
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 61208333) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is CC(C)N1CCC(CNC(=O)C2CSCN2)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WQZBCFBVNWFNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-9(2)15-4-3-10(6-15)5-13-12(16)11-7-17-8-14-11/h9-11,14H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 257.40 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61208333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).