2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol

C19H14ClN3OS — CID 136736987

IUPAC2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
SMILESCc1cc(Nc2nc(O)c(C=C3C=Nc4ccccc43)s2)ccc1Cl
InChIInChI=1S/C19H14ClN3OS/c1-11-8-13(6-7-15(11)20)22-19-23-18(24)17(25-19)9-12-10-21-16-5-3-2-4-14(12)16/h2-10,24H,1H3,(H,22,23)
InChIKeyQLTZCTHEIVDADW-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.81
Rot. Bonds3

About 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol

2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol (PubChem CID 136736987) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
PubChem CID136736987
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
SMILESCc1cc(Nc2nc(O)c(C=C3C=Nc4ccccc43)s2)ccc1Cl
InChIInChI=1S/C19H14ClN3OS/c1-11-8-13(6-7-15(11)20)22-19-23-18(24)17(25-19)9-12-10-21-16-5-3-2-4-14(12)16/h2-10,24H,1H3,(H,22,23)
InChIKeyQLTZCTHEIVDADW-UHFFFAOYSA-N
XLogP5.81
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 946042
2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135987133
4-[[4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 4762525
3-[[4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 4762524
5-hydroxy-2-[[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 135948428
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4168442
3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263324
2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137168916
ethyl 2-(4-chloroanilino)-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]thiophene-3-carboxylate
CID 135440901
2-[2-chloro-4-[2-(dimethylamino)ethoxy]anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137082220
2-[[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-yl]-methylamino]benzoic acid
CID 135608006
2-[[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-yl]-methylamino]benzoic acid
CID 137263314

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol (CID 136736987) is 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol is Cc1cc(Nc2nc(O)c(C=C3C=Nc4ccccc43)s2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The InChIKey is QLTZCTHEIVDADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-11-8-13(6-7-15(11)20)22-19-23-18(24)17(25-19)9-12-10-21-16-5-3-2-4-14(12)16/h2-10,24H,1H3,(H,22,23).
What are the key properties of 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol has a molecular weight of 367.86 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 136736987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).