2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide

C12H11Cl2N5O2S — CID 29102657

IUPAC2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESNC(N)=NC1=NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1
InChIInChI=1S/C12H11Cl2N5O2S/c13-5-1-2-6(14)7(3-5)17-9(20)4-8-10(21)18-12(22-8)19-11(15)16/h1-3,8H,4H2,(H,17,20)(H4,15,16,18,19,21)/t8-/m1/s1
InChIKeyNMUZXAYTSVXXJL-MRVPVSSYSA-N
MW360.23 g/mol
LogP1.59
Rot. Bonds3

About 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide

2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 29102657) has the molecular formula C12H11Cl2N5O2S and a molecular weight of 360.23 g/mol. Its IUPAC name is 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID29102657
Molecular FormulaC12H11Cl2N5O2S
Molecular Weight360.23 g/mol
Exact Mass359.00
IUPAC Name2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESNC(N)=NC1=NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1
InChIInChI=1S/C12H11Cl2N5O2S/c13-5-1-2-6(14)7(3-5)17-9(20)4-8-10(21)18-12(22-8)19-11(15)16/h1-3,8H,4H2,(H,17,20)(H4,15,16,18,19,21)/t8-/m1/s1
InChIKeyNMUZXAYTSVXXJL-MRVPVSSYSA-N
XLogP1.59
TPSA122.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 51.59
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-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)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-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
2-[(5S)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-ethylacetamide
CID 97183669
2-[2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17172612
2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 28559465
N-(2,5-dichlorophenyl)-2-(oxetan-3-yl)acetamide
CID 110476456
N-(2,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 138376746
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 35177861
N-(2-chlorophenyl)-2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 17420291
2-[5-[(4-ethylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
CID 18830434
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
ethyl 6-[2-(2,5-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 17190509

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide (CID 29102657) is 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide is NC(N)=NC1=NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1.
What is the InChIKey of 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is NMUZXAYTSVXXJL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11Cl2N5O2S/c13-5-1-2-6(14)7(3-5)17-9(20)4-8-10(21)18-12(22-8)19-11(15)16/h1-3,8H,4H2,(H,17,20)(H4,15,16,18,19,21)/t8-/m1/s1.
What are the key properties of 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide?
2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 360.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 29102657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).