1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine

C19H20N4O2S — CID 57237222

IUPAC1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C19H20N4O2S/c1-23(18(20)21)19-22-16(12-4-8-14(24-2)9-5-12)17(26-19)13-6-10-15(25-3)11-7-13/h4-11H,1-3H3,(H3,20,21)
InChIKeyXPQSGCDGOGHMQX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.82
Rot. Bonds5

About 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine

1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine (PubChem CID 57237222) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine.

Molecular Properties

Compound Name1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine
PubChem CID57237222
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C19H20N4O2S/c1-23(18(20)21)19-22-16(12-4-8-14(24-2)9-5-12)17(26-19)13-6-10-15(25-3)11-7-13/h4-11H,1-3H3,(H3,20,21)
InChIKeyXPQSGCDGOGHMQX-UHFFFAOYSA-N
XLogP3.82
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.82
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

1,1-bis(4-methoxyphenyl)guanidine
CID 19761906
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
CID 19757960
4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209670
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
4,5-bis(4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 15076241
4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 4788158
N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 71456051
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-N-methylbenzamide
CID 108764475

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine?
The IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine (CID 57237222) is 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine.
What is the SMILES notation for 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine?
The canonical SMILES for 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine is [H]/N=C(\N)N(C)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine?
The InChIKey is XPQSGCDGOGHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-23(18(20)21)19-22-16(12-4-8-14(24-2)9-5-12)17(26-19)13-6-10-15(25-3)11-7-13/h4-11H,1-3H3,(H3,20,21).
What are the key properties of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine?
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine has a molecular weight of 368.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine is sourced from PubChem (CID 57237222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).