4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride

C17H18ClN3OS — CID 72720314

IUPAC4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1cccc(Cc2csc(Nc3ncccc3C)n2)c1.Cl
InChIInChI=1S/C17H17N3OS.ClH/c1-12-5-4-8-18-16(12)20-17-19-14(11-22-17)9-13-6-3-7-15(10-13)21-2;/h3-8,10-11H,9H2,1-2H3,(H,18,19,20);1H
InChIKeyJUCMNNDSZXFMOB-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.61
Rot. Bonds5

About 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride

4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 72720314) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID72720314
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1cccc(Cc2csc(Nc3ncccc3C)n2)c1.Cl
InChIInChI=1S/C17H17N3OS.ClH/c1-12-5-4-8-18-16(12)20-17-19-14(11-22-17)9-13-6-3-7-15(10-13)21-2;/h3-8,10-11H,9H2,1-2H3,(H,18,19,20);1H
InChIKeyJUCMNNDSZXFMOB-UHFFFAOYSA-N
XLogP4.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride (CID 72720314) is 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride is COc1cccc(Cc2csc(Nc3ncccc3C)n2)c1.Cl.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JUCMNNDSZXFMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS.ClH/c1-12-5-4-8-18-16(12)20-17-19-14(11-22-17)9-13-6-3-7-15(10-13)21-2;/h3-8,10-11H,9H2,1-2H3,(H,18,19,20);1H.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride?
4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 72720314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).