2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine

C21H23N7OS — CID 156787895

IUPAC2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCOc1ccc(-c2ccc(C=NNc3nc(C)c(C(C)=NN=C(N)N)s3)cc2)cc1
InChIInChI=1S/C21H23N7OS/c1-13-19(14(2)26-27-20(22)23)30-21(25-13)28-24-12-15-4-6-16(7-5-15)17-8-10-18(29-3)11-9-17/h4-12H,1-3H3,(H,25,28)(H4,22,23,27)
InChIKeyBLSJGDSJYFUMRX-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.57
Rot. Bonds7

About 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine

2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 156787895) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID156787895
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC Name2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCOc1ccc(-c2ccc(C=NNc3nc(C)c(C(C)=NN=C(N)N)s3)cc2)cc1
InChIInChI=1S/C21H23N7OS/c1-13-19(14(2)26-27-20(22)23)30-21(25-13)28-24-12-15-4-6-16(7-5-15)17-8-10-18(29-3)11-9-17/h4-12H,1-3H3,(H,25,28)(H4,22,23,27)
InChIKeyBLSJGDSJYFUMRX-UHFFFAOYSA-N
XLogP3.57
TPSA123.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8878410
4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3664485
methyl 2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136926687
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056
N-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283
ethyl 2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40548236
ethyl 2-[(2Z)-2-[(4-ethoxycarbonylphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 124748851
ethyl 2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3562990
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
methyl 2-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110341087
methyl 2-[(2E)-2-[[4-(furan-2-carbonyloxy)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110341125
1-[2-[2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone;hydrobromide
CID 2848587

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 156787895) is 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is COc1ccc(-c2ccc(C=NNc3nc(C)c(C(C)=NN=C(N)N)s3)cc2)cc1.
What is the InChIKey of 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is BLSJGDSJYFUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-13-19(14(2)26-27-20(22)23)30-21(25-13)28-24-12-15-4-6-16(7-5-15)17-8-10-18(29-3)11-9-17/h4-12H,1-3H3,(H,25,28)(H4,22,23,27).
What are the key properties of 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 421.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 156787895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).