(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone

C8H11N3OS — CID 170767103

IUPAC(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone
SMILESNC1CCN(C(=O)c2ccsn2)C1
InChIInChI=1S/C8H11N3OS/c9-6-1-3-11(5-6)8(12)7-2-4-13-10-7/h2,4,6H,1,3,5,9H2
InChIKeyXFZXQQQUHJWBOL-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.32
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone

(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone (PubChem CID 170767103) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone
PubChem CID170767103
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone
SMILESNC1CCN(C(=O)c2ccsn2)C1
InChIInChI=1S/C8H11N3OS/c9-6-1-3-11(5-6)8(12)7-2-4-13-10-7/h2,4,6H,1,3,5,9H2
InChIKeyXFZXQQQUHJWBOL-UHFFFAOYSA-N
XLogP0.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 167827775
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
(3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone
CID 123879971

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone (CID 170767103) is (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone is NC1CCN(C(=O)c2ccsn2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone?
The InChIKey is XFZXQQQUHJWBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-6-1-3-11(5-6)8(12)7-2-4-13-10-7/h2,4,6H,1,3,5,9H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone?
(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone has a molecular weight of 197.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 170767103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).