(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone

C11H17N3OS — CID 86634303

IUPAC(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1sc(N)nc1C(=O)N1CCCC1
InChIInChI=1S/C11H17N3OS/c1-7(2)9-8(13-11(12)16-9)10(15)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeyKOTLLFFRRAGIFJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.08
Rot. Bonds2

About (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone

(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 86634303) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID86634303
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1sc(N)nc1C(=O)N1CCCC1
InChIInChI=1S/C11H17N3OS/c1-7(2)9-8(13-11(12)16-9)10(15)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeyKOTLLFFRRAGIFJ-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone (CID 86634303) is (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone is CC(C)c1sc(N)nc1C(=O)N1CCCC1.
What is the InChIKey of (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is KOTLLFFRRAGIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)9-8(13-11(12)16-9)10(15)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 239.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 86634303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).