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

C14H17N5OS — CID 24855468

IUPAC2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2csc(N=C(N)N)n2)cc1
InChIInChI=1S/C14H17N5OS/c1-2-9-3-5-10(6-4-9)17-12(20)7-11-8-21-14(18-11)19-13(15)16/h3-6,8H,2,7H2,1H3,(H,17,20)(H4,15,16,18,19)
InChIKeyAGMKVZVCBVEENN-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.79
Rot. Bonds5

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

2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 24855468) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
PubChem CID24855468
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2csc(N=C(N)N)n2)cc1
InChIInChI=1S/C14H17N5OS/c1-2-9-3-5-10(6-4-9)17-12(20)7-11-8-21-14(18-11)19-13(15)16/h3-6,8H,2,7H2,1H3,(H,17,20)(H4,15,16,18,19)
InChIKeyAGMKVZVCBVEENN-UHFFFAOYSA-N
XLogP1.79
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
CID 24855352
N-(4-cyanophenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 24855407
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 24855603
N-(3-chloro-4-methylphenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide
CID 24855351
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
CID 18275779
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]acetamide
CID 62798897
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-methoxy-2-methylphenyl)acetamide;hydrochloride
CID 24855608

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide (CID 24855468) is 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cc2csc(N=C(N)N)n2)cc1.
What is the InChIKey of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is AGMKVZVCBVEENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-9-3-5-10(6-4-9)17-12(20)7-11-8-21-14(18-11)19-13(15)16/h3-6,8H,2,7H2,1H3,(H,17,20)(H4,15,16,18,19).
What are the key properties of 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 24855468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).