2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide

C13H13BrN4O2S — CID 136787337

IUPAC2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C13H13BrN4O2S/c1-2-9-11(21-13(15)17-9)12(20)18-16-6-7-5-8(14)3-4-10(7)19/h3-6,19H,2H2,1H3,(H2,15,17)(H,18,20)/b16-6-
InChIKeyWGYJTTCRSZADGQ-SOFYXZRVSA-N
MW369.24 g/mol
LogP2.52
Rot. Bonds4

About 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide

2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 136787337) has the molecular formula C13H13BrN4O2S and a molecular weight of 369.24 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
PubChem CID136787337
Molecular FormulaC13H13BrN4O2S
Molecular Weight369.24 g/mol
Exact Mass367.99
IUPAC Name2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C13H13BrN4O2S/c1-2-9-11(21-13(15)17-9)12(20)18-16-6-7-5-8(14)3-4-10(7)19/h3-6,19H,2H2,1H3,(H2,15,17)(H,18,20)/b16-6-
InChIKeyWGYJTTCRSZADGQ-SOFYXZRVSA-N
XLogP2.52
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 135716646
2-amino-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136787353
2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110511354
2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 110511394
2-amino-N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511422
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 136791215
2-amino-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511440
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511444

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide (CID 136787337) is 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide is CCc1nc(N)sc1C(=O)N/N=C\c1cc(Br)ccc1O.
What is the InChIKey of 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WGYJTTCRSZADGQ-SOFYXZRVSA-N. The full InChI is InChI=1S/C13H13BrN4O2S/c1-2-9-11(21-13(15)17-9)12(20)18-16-6-7-5-8(14)3-4-10(7)19/h3-6,19H,2H2,1H3,(H2,15,17)(H,18,20)/b16-6-.
What are the key properties of 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 369.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136787337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).