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

C16H19N3OS — CID 119486276

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCC(CN)C3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)13-3-2-4-14(7-13)16(20)19-6-5-12(8-17)9-19/h2-4,7,10,12H,5-6,8-9,17H2,1H3
InChIKeyWUUUHFVKTLTUST-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.54
Rot. Bonds3

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

[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (PubChem CID 119486276) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
PubChem CID119486276
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCC(CN)C3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)13-3-2-4-14(7-13)16(20)19-6-5-12(8-17)9-19/h2-4,7,10,12H,5-6,8-9,17H2,1H3
InChIKeyWUUUHFVKTLTUST-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119633701
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 67168433
(3S,4S)-1-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951688
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 119483619
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
3-fluoro-1-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119259285
[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
CID 67170785
3-[3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]chromen-2-one
CID 95216159
[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (CID 119486276) is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is Cc1nc(-c2cccc(C(=O)N3CCC(CN)C3)c2)cs1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The InChIKey is WUUUHFVKTLTUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)13-3-2-4-14(7-13)16(20)19-6-5-12(8-17)9-19/h2-4,7,10,12H,5-6,8-9,17H2,1H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
[3-(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 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is sourced from PubChem (CID 119486276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).