[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C14H16N4OS — CID 66375874

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESNCc1nc(C(=O)N2CCCC2c2cccnc2)cs1
InChIInChI=1S/C14H16N4OS/c15-7-13-17-11(9-20-13)14(19)18-6-2-4-12(18)10-3-1-5-16-8-10/h1,3,5,8-9,12H,2,4,6-7,15H2
InChIKeyCDPXGMALBVBLQC-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.97
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 66375874) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID66375874
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESNCc1nc(C(=O)N2CCCC2c2cccnc2)cs1
InChIInChI=1S/C14H16N4OS/c15-7-13-17-11(9-20-13)14(19)18-6-2-4-12(18)10-3-1-5-16-8-10/h1,3,5,8-9,12H,2,4,6-7,15H2
InChIKeyCDPXGMALBVBLQC-UHFFFAOYSA-N
XLogP1.97
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]methanone
CID 119889847
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 119800975
(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 167179453
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119686916
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119865871
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119860070
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
imidazo[1,2-a]pyridin-2-yl-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 53193496
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 95111843

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 66375874) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is NCc1nc(C(=O)N2CCCC2c2cccnc2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is CDPXGMALBVBLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-7-13-17-11(9-20-13)14(19)18-6-2-4-12(18)10-3-1-5-16-8-10/h1,3,5,8-9,12H,2,4,6-7,15H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 288.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66375874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).