[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid

C9H11N3O3S — CID 67289625

IUPAC[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)c2nccs2)C1
InChIInChI=1S/C9H11N3O3S/c13-8(7-10-2-4-16-7)12-3-1-6(5-12)11-9(14)15/h2,4,6,11H,1,3,5H2,(H,14,15)
InChIKeyPLKBBLJYLSGHSD-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.63
Rot. Bonds2

About [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid

[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 67289625) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
PubChem CID67289625
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)c2nccs2)C1
InChIInChI=1S/C9H11N3O3S/c13-8(7-10-2-4-16-7)12-3-1-6(5-12)11-9(14)15/h2,4,6,11H,1,3,5H2,(H,14,15)
InChIKeyPLKBBLJYLSGHSD-UHFFFAOYSA-N
XLogP0.63
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)-[3-[[(3S)-1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 56963413
[(3S)-3-[[1-(5-phenyl-1,3-dihydroisoindole-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 56963507
[(3S)-3-[[1-(6-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 56963505
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
(3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 77260147
[1-(4-fluorophenyl)-2,3-dihydroindol-4-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 77260250
CID 69459233
CID 69459233
[1-(2,2-difluoroethyl)indol-5-yl]-[3-[[(3R)-1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 56963597
4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde
CID 110695914
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
[6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 67518081
piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 66771808

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid (CID 67289625) is [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid is O=C(O)NC1CCN(C(=O)c2nccs2)C1.
What is the InChIKey of [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is PLKBBLJYLSGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(7-10-2-4-16-7)12-3-1-6(5-12)11-9(14)15/h2,4,6,11H,1,3,5H2,(H,14,15).
What are the key properties of [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid?
[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 241.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 67289625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).