(3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C9H12FN3O2S — CID 86631927

IUPAC(3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ncc(CO)s1)N1CC[C@@H](F)C1
InChIInChI=1S/C9H12FN3O2S/c10-6-1-2-13(4-6)9(15)12-8-11-3-7(5-14)16-8/h3,6,14H,1-2,4-5H2,(H,11,12,15)/t6-/m1/s1
InChIKeySCKHRNNYUAQUCX-ZCFIWIBFSA-N
MW245.28 g/mol
LogP1.21
Rot. Bonds2

About (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

(3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 86631927) has the molecular formula C9H12FN3O2S and a molecular weight of 245.28 g/mol. Its IUPAC name is (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID86631927
Molecular FormulaC9H12FN3O2S
Molecular Weight245.28 g/mol
Exact Mass245.06
IUPAC Name(3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ncc(CO)s1)N1CC[C@@H](F)C1
InChIInChI=1S/C9H12FN3O2S/c10-6-1-2-13(4-6)9(15)12-8-11-3-7(5-14)16-8/h3,6,14H,1-2,4-5H2,(H,11,12,15)/t6-/m1/s1
InChIKeySCKHRNNYUAQUCX-ZCFIWIBFSA-N
XLogP1.21
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 47197229
N-(5-ethyl-1,3-thiazol-2-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 75520267
(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 86631926
1-[5-(4-Hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 116013446
4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 136540986
(2-(Methylamino)thiazol-5-yl)methanol
CID 22081017
N-(5-(hydroxymethyl)thiazol-2-yl)acetamide
CID 55267744
1,1-Dicyclohexyl-3-(5-hydroxymethyl-thiazol-2-yl)-urea
CID 57883708
1-Cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea
CID 58183150
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 87638926
[5-(Hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 90241607
N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 139490681

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 86631927) is (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1ncc(CO)s1)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is SCKHRNNYUAQUCX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12FN3O2S/c10-6-1-2-13(4-6)9(15)12-8-11-3-7(5-14)16-8/h3,6,14H,1-2,4-5H2,(H,11,12,15)/t6-/m1/s1.
What are the key properties of (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
(3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86631927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).