[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone

C14H16N4OS — CID 119631252

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
SMILESNCC1CCCN1C(=O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C14H16N4OS/c15-8-11-2-1-7-18(11)14(19)12-9-17-13(20-12)10-3-5-16-6-4-10/h3-6,9,11H,1-2,7-8,15H2
InChIKeyYKBKXFGQRMLJMQ-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.77
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone (PubChem CID 119631252) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
PubChem CID119631252
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
SMILESNCC1CCCN1C(=O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C14H16N4OS/c15-8-11-2-1-7-18(11)14(19)12-9-17-13(20-12)10-3-5-16-6-4-10/h3-6,9,11H,1-2,7-8,15H2
InChIKeyYKBKXFGQRMLJMQ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578002
(2R,3R)-2-methyl-1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116408
[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119468293
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 125135338
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 124592696
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894
(2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120569349
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-[(2-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-[4-[5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]methanone
CID 11683865
3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid
CID 124691573
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120741704

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone (CID 119631252) is [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone is NCC1CCCN1C(=O)c1cnc(-c2ccncc2)s1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is YKBKXFGQRMLJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-8-11-2-1-7-18(11)14(19)12-9-17-13(20-12)10-3-5-16-6-4-10/h3-6,9,11H,1-2,7-8,15H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 288.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 119631252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).