[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine

C8H13FN4S — CID 130668391

IUPAC[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H](F)CN1Cc1csnn1
InChIInChI=1S/C8H13FN4S/c9-6-1-8(2-10)13(3-6)4-7-5-14-12-11-7/h5-6,8H,1-4,10H2/t6-,8+/m1/s1
InChIKeyJVHDCHYLOOAKJI-SVRRBLITSA-N
MW216.28 g/mol
LogP0.41
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine

[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 130668391) has the molecular formula C8H13FN4S and a molecular weight of 216.28 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID130668391
Molecular FormulaC8H13FN4S
Molecular Weight216.28 g/mol
Exact Mass216.08
IUPAC Name[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H](F)CN1Cc1csnn1
InChIInChI=1S/C8H13FN4S/c9-6-1-8(2-10)13(3-6)4-7-5-14-12-11-7/h5-6,8H,1-4,10H2/t6-,8+/m1/s1
InChIKeyJVHDCHYLOOAKJI-SVRRBLITSA-N
XLogP0.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine 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

trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 164641599
N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856321
4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-1-amine
CID 115516077
5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
CID 115516815
N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115907154
3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 115908278
4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 124291943
trans-(1R,2R)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 126791245
2,2-difluoro-N-(thiadiazol-4-ylmethyl)cyclopentan-1-amine
CID 131086463
N'-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 60888547
N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 43663776
N-[(1,2,3-thiadiazol-4-yl)methyl]cyclohexanamine
CID 43663791

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine (CID 130668391) is [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@@H](F)CN1Cc1csnn1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is JVHDCHYLOOAKJI-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13FN4S/c9-6-1-8(2-10)13(3-6)4-7-5-14-12-11-7/h5-6,8H,1-4,10H2/t6-,8+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine?
[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 130668391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).