[(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid

C14H14F2N4O2S — CID 71015328

IUPAC[(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CN(Cc2csnn2)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N4O2S/c15-11-2-1-8(3-12(11)16)10-5-20(4-9-7-23-19-18-9)6-13(10)17-14(21)22/h1-3,7,10,13,17H,4-6H2,(H,21,22)/t10-,13+/m0/s1
InChIKeySCFDVWBEELPRQY-GXFFZTMASA-N
MW340.36 g/mol
LogP2.05
Rot. Bonds4

About [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid

[(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 71015328) has the molecular formula C14H14F2N4O2S and a molecular weight of 340.36 g/mol. Its IUPAC name is [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid
PubChem CID71015328
Molecular FormulaC14H14F2N4O2S
Molecular Weight340.36 g/mol
Exact Mass340.08
IUPAC Name[(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CN(Cc2csnn2)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N4O2S/c15-11-2-1-8(3-12(11)16)10-5-20(4-9-7-23-19-18-9)6-13(10)17-14(21)22/h1-3,7,10,13,17H,4-6H2,(H,21,22)/t10-,13+/m0/s1
InChIKeySCFDVWBEELPRQY-GXFFZTMASA-N
XLogP2.05
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 86787817
(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 71015547
tert-butyl-[(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 130275961
tert-butyl ((3S,4R)-1-((1,2,3-thiadiazol-4-yl)methyl)-4-(3,4-difluorophenyl)pyrrolidin-3-yl)carbamate
CID 130275965
4-[[(3R)-3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 139302679
4-[[3-(3,4-Difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 141523733
(2S,3S)-1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 97877826
(2S,3R)-1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 97877827
(2R,3S)-1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 129446456
(2R,3R)-1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 129446457
1-[(4-Fluorophenyl)methyl]-3-(thiadiazol-4-ylmethylamino)pyrrolidin-2-one
CID 132297553
[2-(Dibutylamino)-3-[4-(thiadiazol-4-yl)phenyl]propyl]carbamic acid
CID 69810401

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid (CID 71015328) is [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CN(Cc2csnn2)C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is SCFDVWBEELPRQY-GXFFZTMASA-N. The full InChI is InChI=1S/C14H14F2N4O2S/c15-11-2-1-8(3-12(11)16)10-5-20(4-9-7-23-19-18-9)6-13(10)17-14(21)22/h1-3,7,10,13,17H,4-6H2,(H,21,22)/t10-,13+/m0/s1.
What are the key properties of [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid?
[(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 340.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 71015328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).