6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one

C21H17ClN2O3S — CID 2911881

IUPAC6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCCCOc1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1
InChIInChI=1S/C21H17ClN2O3S/c1-2-9-26-16-6-4-15(5-7-16)23-21-24-18(12-28-21)17-11-13-10-14(22)3-8-19(13)27-20(17)25/h3-8,10-12H,2,9H2,1H3,(H,23,24)
InChIKeyRWFRIWRMRSSWHJ-UHFFFAOYSA-N
MW412.90 g/mol
LogP6.10
Rot. Bonds6

About 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one

6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 2911881) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID2911881
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC Name6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCCCOc1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1
InChIInChI=1S/C21H17ClN2O3S/c1-2-9-26-16-6-4-15(5-7-16)23-21-24-18(12-28-21)17-11-13-10-14(22)3-8-19(13)27-20(17)25/h3-8,10-12H,2,9H2,1H3,(H,23,24)
InChIKeyRWFRIWRMRSSWHJ-UHFFFAOYSA-N
XLogP6.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.90
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one 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

6-chloro-3-[5-(4-propoxyanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
CID 2911952
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 1038778
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 15263193
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1128729
6-chloro-3-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 15853770
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482
6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1253888
6-chloro-3-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 15853771
7-ethoxy-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]chromen-2-one
CID 1119426
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108
6-bromo-3-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 3123909
3-(2-anilino-1,3-thiazol-4-yl)-7-hydroxychromen-2-one
CID 5405778

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one (CID 2911881) is 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one is CCCOc1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1.
What is the InChIKey of 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is RWFRIWRMRSSWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c1-2-9-26-16-6-4-15(5-7-16)23-21-24-18(12-28-21)17-11-13-10-14(22)3-8-19(13)27-20(17)25/h3-8,10-12H,2,9H2,1H3,(H,23,24).
What are the key properties of 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 412.90 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 2911881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).