2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride

C14H18ClN5O2S — CID 24855608

IUPAC2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)Cc2csc(N=C(N)N)n2)c(C)c1.Cl
InChIInChI=1S/C14H17N5O2S.ClH/c1-8-5-10(21-2)3-4-11(8)18-12(20)6-9-7-22-14(17-9)19-13(15)16;/h3-5,7H,6H2,1-2H3,(H,18,20)(H4,15,16,17,19);1H
InChIKeyIULIFRDYVLKYNT-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.97
Rot. Bonds5

About 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride

2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride (PubChem CID 24855608) has the molecular formula C14H18ClN5O2S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride
PubChem CID24855608
Molecular FormulaC14H18ClN5O2S
Molecular Weight355.85 g/mol
Exact Mass355.09
IUPAC Name2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)Cc2csc(N=C(N)N)n2)c(C)c1.Cl
InChIInChI=1S/C14H17N5O2S.ClH/c1-8-5-10(21-2)3-4-11(8)18-12(20)6-9-7-22-14(17-9)19-13(15)16;/h3-5,7H,6H2,1-2H3,(H,18,20)(H4,15,16,17,19);1H
InChIKeyIULIFRDYVLKYNT-UHFFFAOYSA-N
XLogP1.97
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.97
H-Bond Donors ≤ 53
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-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 62872274
N-(3-chloro-4-methylphenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide
CID 24855351
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 24855603
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
CID 24855352
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 24855468
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
N-(4-cyanophenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 24855407
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide
CID 62798358
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride (CID 24855608) is 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride is COc1ccc(NC(=O)Cc2csc(N=C(N)N)n2)c(C)c1.Cl.
What is the InChIKey of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride?
The InChIKey is IULIFRDYVLKYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S.ClH/c1-8-5-10(21-2)3-4-11(8)18-12(20)6-9-7-22-14(17-9)19-13(15)16;/h3-5,7H,6H2,1-2H3,(H,18,20)(H4,15,16,17,19);1H.
What are the key properties of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride?
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 24855608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).