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

C9H12N2OS — CID 83484821

IUPAC(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
SMILESCc1ncc(C(=O)C2CCCN2)s1
InChIInChI=1S/C9H12N2OS/c1-6-11-5-8(13-6)9(12)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3
InChIKeyJOIBUIXOMRZXCA-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.39
Rot. Bonds2

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

(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone (PubChem CID 83484821) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
PubChem CID83484821
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
SMILESCc1ncc(C(=O)C2CCCN2)s1
InChIInChI=1S/C9H12N2OS/c1-6-11-5-8(13-6)9(12)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3
InChIKeyJOIBUIXOMRZXCA-UHFFFAOYSA-N
XLogP1.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119514702
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119859306
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide
CID 54872657
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 114031322
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119859299
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 113265500
2-methyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 107093535
[(3S)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 102612004
(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
CID 130603335
azepan-2-yl-(5-chlorothiophen-2-yl)methanone
CID 116582505

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone (CID 83484821) is (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone is Cc1ncc(C(=O)C2CCCN2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is JOIBUIXOMRZXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-11-5-8(13-6)9(12)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone?
(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 196.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 83484821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).