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

C8H10N2OS — CID 170766527

IUPACpyrrolidin-1-yl(1,2-thiazol-3-yl)methanone
SMILESO=C(c1ccsn1)N1CCCC1
InChIInChI=1S/C8H10N2OS/c11-8(7-3-6-12-9-7)10-4-1-2-5-10/h3,6H,1-2,4-5H2
InChIKeyQCCQJMJUXHSLOM-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.38
Rot. Bonds1

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

pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone (PubChem CID 170766527) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(1,2-thiazol-3-yl)methanone
PubChem CID170766527
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Namepyrrolidin-1-yl(1,2-thiazol-3-yl)methanone
SMILESO=C(c1ccsn1)N1CCCC1
InChIInChI=1S/C8H10N2OS/c11-8(7-3-6-12-9-7)10-4-1-2-5-10/h3,6H,1-2,4-5H2
InChIKeyQCCQJMJUXHSLOM-UHFFFAOYSA-N
XLogP1.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 167827775
4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147273
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone (CID 170766527) is pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone is O=C(c1ccsn1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone?
The InChIKey is QCCQJMJUXHSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8(7-3-6-12-9-7)10-4-1-2-5-10/h3,6H,1-2,4-5H2.
What are the key properties of pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone?
pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone has a molecular weight of 182.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 170766527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).