2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide

C16H19N3OS — CID 119787293

IUPAC2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(CN)n1)C1CCc2ccccc2C1
InChIInChI=1S/C16H19N3OS/c1-19(16(20)14-10-21-15(9-17)18-14)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9,17H2,1H3
InChIKeyINGLSYDSTULGOB-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.23
Rot. Bonds3

About 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 119787293) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID119787293
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(CN)n1)C1CCc2ccccc2C1
InChIInChI=1S/C16H19N3OS/c1-19(16(20)14-10-21-15(9-17)18-14)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9,17H2,1H3
InChIKeyINGLSYDSTULGOB-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-N-methyl-1,3-thiazole-4-carboxamide
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CID 97061003
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CID 100645896
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6-[(dimethylamino)methyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 126796452
2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646306
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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide (CID 119787293) is 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(CN)n1)C1CCc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is INGLSYDSTULGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19(16(20)14-10-21-15(9-17)18-14)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119787293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).