1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea

C18H13N5O2S — CID 135936240

IUPAC1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13N5O2S/c24-16-15(12-8-4-5-9-13(12)19-16)22-23-17(25)21-18-20-14(10-26-18)11-6-2-1-3-7-11/h1-10,19,24H,(H,20,21,25)/b23-22+
InChIKeyGUVITGMRIMPNLB-GHVJWSGMSA-N
MW363.40 g/mol
LogP5.31
Rot. Bonds3

About 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 135936240) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID135936240
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13N5O2S/c24-16-15(12-8-4-5-9-13(12)19-16)22-23-17(25)21-18-20-14(10-26-18)11-6-2-1-3-7-11/h1-10,19,24H,(H,20,21,25)/b23-22+
InChIKeyGUVITGMRIMPNLB-GHVJWSGMSA-N
XLogP5.31
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.40
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
CID 135794067
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767861
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-(4-phenyl-1,3-thiazol-2-yl)-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 23973150
(Z)-2-cyano-3-(2-methyl-1H-indol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 170913005
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
CID 135571903
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 135936240) is 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea is O=C(/N=N/c1c(O)[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is GUVITGMRIMPNLB-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H13N5O2S/c24-16-15(12-8-4-5-9-13(12)19-16)22-23-17(25)21-18-20-14(10-26-18)11-6-2-1-3-7-11/h1-10,19,24H,(H,20,21,25)/b23-22+.
What are the key properties of 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 363.40 g/mol, XLogP of 5.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 135936240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).