1-(1H-indazol-6-yl)-3-phenylthiourea

C14H12N4S — CID 2396745

IUPAC1-(1H-indazol-6-yl)-3-phenylthiourea
SMILESS=C(Nc1ccccc1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12N4S/c19-14(16-11-4-2-1-3-5-11)17-12-7-6-10-9-15-18-13(10)8-12/h1-9H,(H,15,18)(H2,16,17,19)
InChIKeyBVLFPFMXDKLPGY-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.37
Rot. Bonds2

About 1-(1H-indazol-6-yl)-3-phenylthiourea

1-(1H-indazol-6-yl)-3-phenylthiourea (PubChem CID 2396745) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-3-phenylthiourea
PubChem CID2396745
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name1-(1H-indazol-6-yl)-3-phenylthiourea
SMILESS=C(Nc1ccccc1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12N4S/c19-14(16-11-4-2-1-3-5-11)17-12-7-6-10-9-15-18-13(10)8-12/h1-9H,(H,15,18)(H2,16,17,19)
InChIKeyBVLFPFMXDKLPGY-UHFFFAOYSA-N
XLogP3.37
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
1-{[4-(azepan-1-yl)-3,5-difluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749351
3-1H-indazol-4-yl-1-{[3-(trifluoromethyl)phenyl]methyl}urea
CID 22337600
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
(6-methyl-1H-indazol-5-yl)thiourea
CID 1482600
N-(1H-indazol-6-yl)thiourea
CID 2764168
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H-indazol-4-ylurea
CID 16749466
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210
3-1H-indazol-4-yl-1-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 24768211

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-3-phenylthiourea?
The IUPAC name of 1-(1H-indazol-6-yl)-3-phenylthiourea (CID 2396745) is 1-(1H-indazol-6-yl)-3-phenylthiourea.
What is the SMILES notation for 1-(1H-indazol-6-yl)-3-phenylthiourea?
The canonical SMILES for 1-(1H-indazol-6-yl)-3-phenylthiourea is S=C(Nc1ccccc1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(1H-indazol-6-yl)-3-phenylthiourea?
The InChIKey is BVLFPFMXDKLPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c19-14(16-11-4-2-1-3-5-11)17-12-7-6-10-9-15-18-13(10)8-12/h1-9H,(H,15,18)(H2,16,17,19).
What are the key properties of 1-(1H-indazol-6-yl)-3-phenylthiourea?
1-(1H-indazol-6-yl)-3-phenylthiourea has a molecular weight of 268.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-3-phenylthiourea is sourced from PubChem (CID 2396745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).