(3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone

C8H11N3OS — CID 67512317

IUPAC(3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone
SMILESNC1(C(=O)c2cscn2)CCNC1
InChIInChI=1S/C8H11N3OS/c9-8(1-2-10-4-8)7(12)6-3-13-5-11-6/h3,5,10H,1-2,4,9H2
InChIKeyTUDHIUAGEHAQAX-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.02
Rot. Bonds2

About (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone

(3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 67512317) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID67512317
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name(3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone
SMILESNC1(C(=O)c2cscn2)CCNC1
InChIInChI=1S/C8H11N3OS/c9-8(1-2-10-4-8)7(12)6-3-13-5-11-6/h3,5,10H,1-2,4,9H2
InChIKeyTUDHIUAGEHAQAX-UHFFFAOYSA-N
XLogP0.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone (CID 67512317) is (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone is NC1(C(=O)c2cscn2)CCNC1.
What is the InChIKey of (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is TUDHIUAGEHAQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-8(1-2-10-4-8)7(12)6-3-13-5-11-6/h3,5,10H,1-2,4,9H2.
What are the key properties of (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone?
(3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 197.26 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 67512317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).