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

C10H14N2OS — CID 84589611

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)c(C)s1
InChIInChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
InChIKeyBRAPKXFMPGACJU-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.00
Rot. Bonds1

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

(2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 84589611) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID84589611
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)c(C)s1
InChIInChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
InChIKeyBRAPKXFMPGACJU-UHFFFAOYSA-N
XLogP2.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone (CID 84589611) is (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone is Cc1nc(C(=O)N2CCCC2)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is BRAPKXFMPGACJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
(2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 210.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 84589611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).