2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide

C18H17N5O2S — CID 24855603

IUPAC2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESNC(N)=Nc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C18H17N5O2S/c19-17(20)23-18-22-13(11-26-18)10-16(24)21-12-6-8-15(9-7-12)25-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,21,24)(H4,19,20,22,23)
InChIKeyKCUKCCGIWFBSPP-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide

2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 24855603) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID24855603
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESNC(N)=Nc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C18H17N5O2S/c19-17(20)23-18-22-13(11-26-18)10-16(24)21-12-6-8-15(9-7-12)25-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,21,24)(H4,19,20,22,23)
InChIKeyKCUKCCGIWFBSPP-UHFFFAOYSA-N
XLogP3.02
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.02
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-[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
N-(4-cyanophenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 24855407
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-(3-chloro-4-methylphenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide
CID 24855351
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386672
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride
CID 24855608
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 41211729
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 16839747

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide (CID 24855603) is 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide is NC(N)=Nc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs1.
What is the InChIKey of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is KCUKCCGIWFBSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c19-17(20)23-18-22-13(11-26-18)10-16(24)21-12-6-8-15(9-7-12)25-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,21,24)(H4,19,20,22,23).
What are the key properties of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.02, 6 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-phenoxyphenyl)acetamide is sourced from PubChem (CID 24855603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).