N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C16H23FN4O2S — CID 154848093

IUPACN-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)C(=O)N1CC(F)(CNC(=O)N2CCC(c3nccs3)C2)C1
InChIInChI=1S/C16H23FN4O2S/c1-11(2)14(22)21-9-16(17,10-21)8-19-15(23)20-5-3-12(7-20)13-18-4-6-24-13/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,19,23)
InChIKeyCBTQIZIDQWWWOT-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.85
Rot. Bonds4

About N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 154848093) has the molecular formula C16H23FN4O2S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID154848093
Molecular FormulaC16H23FN4O2S
Molecular Weight354.45 g/mol
Exact Mass354.15
IUPAC NameN-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)C(=O)N1CC(F)(CNC(=O)N2CCC(c3nccs3)C2)C1
InChIInChI=1S/C16H23FN4O2S/c1-11(2)14(22)21-9-16(17,10-21)8-19-15(23)20-5-3-12(7-20)13-18-4-6-24-13/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,19,23)
InChIKeyCBTQIZIDQWWWOT-UHFFFAOYSA-N
XLogP1.85
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124885278
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
(2S)-2,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]pent-4-en-1-one
CID 124728518
4-(2-methylpropanoyl)-N-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 146075678
3-oxo-3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521667
2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313552
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762121
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
CID 170759258

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 154848093) is N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is CC(C)C(=O)N1CC(F)(CNC(=O)N2CCC(c3nccs3)C2)C1.
What is the InChIKey of N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is CBTQIZIDQWWWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2S/c1-11(2)14(22)21-9-16(17,10-21)8-19-15(23)20-5-3-12(7-20)13-18-4-6-24-13/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,19,23).
What are the key properties of N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 354.45 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 N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154848093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).