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

C16H17Cl2N3OS — CID 119466413

IUPAC[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone
SMILESNCC1CCCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl2N3OS/c17-10-4-5-12(13(18)7-10)15-20-14(9-23-15)16(22)21-6-2-1-3-11(21)8-19/h4-5,7,9,11H,1-3,6,8,19H2
InChIKeyCGBPBMSWFWHNNJ-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.07
Rot. Bonds3

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

[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 119466413) has the molecular formula C16H17Cl2N3OS and a molecular weight of 370.31 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID119466413
Molecular FormulaC16H17Cl2N3OS
Molecular Weight370.31 g/mol
Exact Mass369.05
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone
SMILESNCC1CCCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl2N3OS/c17-10-4-5-12(13(18)7-10)15-20-14(9-23-15)16(22)21-6-2-1-3-11(21)8-19/h4-5,7,9,11H,1-3,6,8,19H2
InChIKeyCGBPBMSWFWHNNJ-UHFFFAOYSA-N
XLogP4.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119633830
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 124573522
[2-(aminomethyl)piperidin-1-yl]-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119468268
[2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119467138
[2-(aminomethyl)piperidin-1-yl]-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119468776
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119632194
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 119633634
[2-(aminomethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119468564
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
CID 58924946
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119469020
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone (CID 119466413) is [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone is NCC1CCCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is CGBPBMSWFWHNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3OS/c17-10-4-5-12(13(18)7-10)15-20-14(9-23-15)16(22)21-6-2-1-3-11(21)8-19/h4-5,7,9,11H,1-3,6,8,19H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 370.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 119466413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).