pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C12H12N2OS2 — CID 36839058

IUPACpyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCCC1
InChIInChI=1S/C12H12N2OS2/c15-12(14-4-1-2-5-14)10-8-17-11(13-10)9-3-6-16-7-9/h3,6-8H,1-2,4-5H2
InChIKeyHAJKTFPUGDKTHX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.11
Rot. Bonds2

About pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 36839058) has the molecular formula C12H12N2OS2 and a molecular weight of 264.37 g/mol. Its IUPAC name is pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID36839058
Molecular FormulaC12H12N2OS2
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC Namepyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCCC1
InChIInChI=1S/C12H12N2OS2/c15-12(14-4-1-2-5-14)10-8-17-11(13-10)9-3-6-16-7-9/h3,6-8H,1-2,4-5H2
InChIKeyHAJKTFPUGDKTHX-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Thiophen-3-yl)-1,3-thiazole-4-carbaldehyde
CID 45792165
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 48573949
1,3-Thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472737
Pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 24540104
(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 97189230
US11572374, Example 1-80
CID 162690701
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30835750
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 35464889
2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 47120048
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 52252995
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 36839058) is pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccsc2)n1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is HAJKTFPUGDKTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-12(14-4-1-2-5-14)10-8-17-11(13-10)9-3-6-16-7-9/h3,6-8H,1-2,4-5H2.
What are the key properties of pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 36839058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).