[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone

C16H19N3OS — CID 119633701

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCCC3CN)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-5-13(8-12)16(20)19-7-3-6-14(19)9-17/h2,4-5,8,10,14H,3,6-7,9,17H2,1H3
InChIKeyAIPKDWFJALJBHH-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.68
Rot. Bonds3

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

[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (PubChem CID 119633701) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
PubChem CID119633701
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCCC3CN)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-5-13(8-12)16(20)19-7-3-6-14(19)9-17/h2,4-5,8,10,14H,3,6-7,9,17H2,1H3
InChIKeyAIPKDWFJALJBHH-UHFFFAOYSA-N
XLogP2.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 119467477
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119486276
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone;dihydrochloride
CID 119649898
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 61410786
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 119634691
[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 125146266
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]methanone
CID 79027845

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (CID 119633701) is [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is Cc1nc(-c2cccc(C(=O)N3CCCC3CN)c2)cs1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The InChIKey is AIPKDWFJALJBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-5-13(8-12)16(20)19-7-3-6-14(19)9-17/h2,4-5,8,10,14H,3,6-7,9,17H2,1H3.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone has a molecular weight of 301.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is sourced from PubChem (CID 119633701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).