pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone

C16H19N3OS — CID 75498371

IUPACpyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
SMILESCC(Nc1cccc(C(=O)N2CCCC2)c1)c1nccs1
InChIInChI=1S/C16H19N3OS/c1-12(15-17-7-10-21-15)18-14-6-4-5-13(11-14)16(20)19-8-2-3-9-19/h4-7,10-12,18H,2-3,8-9H2,1H3
InChIKeyFPDJLADXSXHOAF-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.55
Rot. Bonds4

About pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone

pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone (PubChem CID 75498371) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
PubChem CID75498371
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Namepyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
SMILESCC(Nc1cccc(C(=O)N2CCCC2)c1)c1nccs1
InChIInChI=1S/C16H19N3OS/c1-12(15-17-7-10-21-15)18-14-6-4-5-13(11-14)16(20)19-8-2-3-9-19/h4-7,10-12,18H,2-3,8-9H2,1H3
InChIKeyFPDJLADXSXHOAF-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
[3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone
CID 138042653
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54840957
N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 36818842
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
3-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993160
1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 112550351

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone (CID 75498371) is pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone is CC(Nc1cccc(C(=O)N2CCCC2)c1)c1nccs1.
What is the InChIKey of pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone?
The InChIKey is FPDJLADXSXHOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12(15-17-7-10-21-15)18-14-6-4-5-13(11-14)16(20)19-8-2-3-9-19/h4-7,10-12,18H,2-3,8-9H2,1H3.
What are the key properties of pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone?
pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone has a molecular weight of 301.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone is sourced from PubChem (CID 75498371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).