2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride

C19H21ClN4O2S — CID 19757960

IUPAC2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
SMILESCOc1ccc(-c2nc(CN=C(N)N)sc2-c2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C19H20N4O2S.ClH/c1-24-14-7-3-12(4-8-14)17-18(13-5-9-15(25-2)10-6-13)26-16(23-17)11-22-19(20)21;/h3-10H,11H2,1-2H3,(H4,20,21,22);1H
InChIKeySJQDBDQPCOJWGQ-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.69
Rot. Bonds6

About 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride

2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride (PubChem CID 19757960) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
PubChem CID19757960
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
SMILESCOc1ccc(-c2nc(CN=C(N)N)sc2-c2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C19H20N4O2S.ClH/c1-24-14-7-3-12(4-8-14)17-18(13-5-9-15(25-2)10-6-13)26-16(23-17)11-22-19(20)21;/h3-10H,11H2,1-2H3,(H4,20,21,22);1H
InChIKeySJQDBDQPCOJWGQ-UHFFFAOYSA-N
XLogP3.69
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine
CID 111573105
4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 11493332
4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209670
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine
CID 57237222
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 110884528
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111817423
1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 61336837

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride?
The IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride (CID 19757960) is 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride.
What is the SMILES notation for 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride?
The canonical SMILES for 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride is COc1ccc(-c2nc(CN=C(N)N)sc2-c2ccc(OC)cc2)cc1.Cl.
What is the InChIKey of 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride?
The InChIKey is SJQDBDQPCOJWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.ClH/c1-24-14-7-3-12(4-8-14)17-18(13-5-9-15(25-2)10-6-13)26-16(23-17)11-22-19(20)21;/h3-10H,11H2,1-2H3,(H4,20,21,22);1H.
What are the key properties of 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride?
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride has a molecular weight of 404.92 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride is sourced from PubChem (CID 19757960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).