(3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C8H10FN3OS — CID 87638157

IUPAC(3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CC[C@@H](F)C1
InChIInChI=1S/C8H10FN3OS/c9-6-1-3-12(5-6)8(13)11-7-10-2-4-14-7/h2,4,6H,1,3,5H2,(H,10,11,13)/t6-/m1/s1
InChIKeyULEUTQJPVQQJNC-ZCFIWIBFSA-N
MW215.25 g/mol
LogP1.72
Rot. Bonds1

About (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

(3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 87638157) has the molecular formula C8H10FN3OS and a molecular weight of 215.25 g/mol. Its IUPAC name is (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID87638157
Molecular FormulaC8H10FN3OS
Molecular Weight215.25 g/mol
Exact Mass215.05
IUPAC Name(3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CC[C@@H](F)C1
InChIInChI=1S/C8H10FN3OS/c9-6-1-3-12(5-6)8(13)11-7-10-2-4-14-7/h2,4,6H,1,3,5H2,(H,10,11,13)/t6-/m1/s1
InChIKeyULEUTQJPVQQJNC-ZCFIWIBFSA-N
XLogP1.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-(2-thiazolyl)urea
CID 307028
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
1-Propyl-3-(1,3-thiazol-2-yl)urea
CID 2130249
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
1-(Thiazol-2-yl)pyrrolidin-2-one
CID 574609
N-[1,1-bis(trifluoromethyl)propyl]-N'-1,3-thiazol-2-ylurea
CID 659736
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-thiazol-2-yl-thiourea
CID 3003037
Propanamide, 3-(1-pyrrolidinyl)-N-(2-thiazolyl)-
CID 558586
1,3-Bis(1,3-thiazol-2-YL)urea
CID 12995505
1-(2-Thiazolyl)-2-imidazolidinone
CID 154916
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 659677
3-(2-oxoimidazolidin-1-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 47079402

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 87638157) is (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1nccs1)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is ULEUTQJPVQQJNC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10FN3OS/c9-6-1-3-12(5-6)8(13)11-7-10-2-4-14-7/h2,4,6H,1,3,5H2,(H,10,11,13)/t6-/m1/s1.
What are the key properties of (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
(3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 87638157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).