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

C11H17N3OS — CID 66379843

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1csc(CN)n1
InChIInChI=1S/C11H17N3OS/c1-11(2)4-3-5-14(11)10(15)8-7-16-9(6-12)13-8/h7H,3-6,12H2,1-2H3
InChIKeyZCJKVDTWKOCNQW-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.62
Rot. Bonds2

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

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 66379843) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID66379843
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1csc(CN)n1
InChIInChI=1S/C11H17N3OS/c1-11(2)4-3-5-14(11)10(15)8-7-16-9(6-12)13-8/h7H,3-6,12H2,1-2H3
InChIKeyZCJKVDTWKOCNQW-UHFFFAOYSA-N
XLogP1.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 66381589
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 66378865
2-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380568
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
CID 119899850
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220250

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 66379843) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCCN1C(=O)c1csc(CN)n1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is ZCJKVDTWKOCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(2)4-3-5-14(11)10(15)8-7-16-9(6-12)13-8/h7H,3-6,12H2,1-2H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66379843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).