2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C16H20ClN3O2S — CID 119797957

IUPAC2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1(C)CC(NC(=O)c2csc(CN)n2)c2ccccc2O1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-16(2)7-11(10-5-3-4-6-13(10)21-16)19-15(20)12-9-22-14(8-17)18-12;/h3-6,9,11H,7-8,17H2,1-2H3,(H,19,20);1H
InChIKeyZSQMYHPDKAVQIE-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.06
Rot. Bonds3

About 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119797957) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119797957
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1(C)CC(NC(=O)c2csc(CN)n2)c2ccccc2O1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-16(2)7-11(10-5-3-4-6-13(10)21-16)19-15(20)12-9-22-14(8-17)18-12;/h3-6,9,11H,7-8,17H2,1-2H3,(H,19,20);1H
InChIKeyZSQMYHPDKAVQIE-UHFFFAOYSA-N
XLogP3.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119797957) is 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride is CC1(C)CC(NC(=O)c2csc(CN)n2)c2ccccc2O1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ZSQMYHPDKAVQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-16(2)7-11(10-5-3-4-6-13(10)21-16)19-15(20)12-9-22-14(8-17)18-12;/h3-6,9,11H,7-8,17H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119797957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).