2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol

C19H17N3O3S — CID 117071560

IUPAC2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2csc(N/N=C3\CCOc4ccccc43)n2)c(O)c1
InChIInChI=1S/C19H17N3O3S/c1-24-12-6-7-13(17(23)10-12)16-11-26-19(20-16)22-21-15-8-9-25-18-5-3-2-4-14(15)18/h2-7,10-11,23H,8-9H2,1H3,(H,20,22)/b21-15+
InChIKeyUWGXRKSCWPTACO-RCCKNPSSSA-N
MW367.43 g/mol
LogP4.12
Rot. Bonds4

About 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol

2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol (PubChem CID 117071560) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol
PubChem CID117071560
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2csc(N/N=C3\CCOc4ccccc43)n2)c(O)c1
InChIInChI=1S/C19H17N3O3S/c1-24-12-6-7-13(17(23)10-12)16-11-26-19(20-16)22-21-15-8-9-25-18-5-3-2-4-14(15)18/h2-7,10-11,23H,8-9H2,1H3,(H,20,22)/b21-15+
InChIKeyUWGXRKSCWPTACO-RCCKNPSSSA-N
XLogP4.12
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol 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

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 87929472
4-methoxy-2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 46204454
2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol
CID 71568843
3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8870023
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5219831
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55388150
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531375
4-methoxy-2-[2-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 46204456
ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
CID 2807544
4-(2-methoxyphenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 8878425
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044812
2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 165342796

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol (CID 117071560) is 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol is COc1ccc(-c2csc(N/N=C3\CCOc4ccccc43)n2)c(O)c1.
What is the InChIKey of 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol?
The InChIKey is UWGXRKSCWPTACO-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-24-12-6-7-13(17(23)10-12)16-11-26-19(20-16)22-21-15-8-9-25-18-5-3-2-4-14(15)18/h2-7,10-11,23H,8-9H2,1H3,(H,20,22)/b21-15+.
What are the key properties of 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol?
2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol has a molecular weight of 367.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol is sourced from PubChem (CID 117071560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).