3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

C15H25N3O2S — CID 75380007

IUPAC3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCCC(NC(=O)N1CCC(OCC(C)C)C1)c1nccs1
InChIInChI=1S/C15H25N3O2S/c1-4-13(14-16-6-8-21-14)17-15(19)18-7-5-12(9-18)20-10-11(2)3/h6,8,11-13H,4-5,7,9-10H2,1-3H3,(H,17,19)
InChIKeyLAWDGIDTOVLLDI-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.05
Rot. Bonds6

About 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 75380007) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID75380007
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCCC(NC(=O)N1CCC(OCC(C)C)C1)c1nccs1
InChIInChI=1S/C15H25N3O2S/c1-4-13(14-16-6-8-21-14)17-15(19)18-7-5-12(9-18)20-10-11(2)3/h6,8,11-13H,4-5,7,9-10H2,1-3H3,(H,17,19)
InChIKeyLAWDGIDTOVLLDI-UHFFFAOYSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one
CID 71986833
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72129756
1-Methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75520518
1-[(1-methoxycyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97859133
2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide
CID 99831057
2-ethoxy-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
CID 100031721
1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 125437870
1-(2-methoxyethyl)-3-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125527571
tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate
CID 134874953
(4aS,7aR)-4-methyl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide
CID 128635307
6,6-difluoro-N-[1-(1,3-thiazol-2-yl)propyl]-1,4-oxazepane-4-carboxamide
CID 132360176

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (CID 75380007) is 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is CCC(NC(=O)N1CCC(OCC(C)C)C1)c1nccs1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is LAWDGIDTOVLLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-13(14-16-6-8-21-14)17-15(19)18-7-5-12(9-18)20-10-11(2)3/h6,8,11-13H,4-5,7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75380007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).