1-(1H-indazol-4-yl)-3-methylthiourea

C9H10N4S — CID 1481954

IUPAC1-(1H-indazol-4-yl)-3-methylthiourea
SMILESCNC(=S)Nc1cccc2[nH]ncc12
InChIInChI=1S/C9H10N4S/c1-10-9(14)12-7-3-2-4-8-6(7)5-11-13-8/h2-5H,1H3,(H,11,13)(H2,10,12,14)
InChIKeyROLBCJOSTPZNOK-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.48
Rot. Bonds1

About 1-(1H-indazol-4-yl)-3-methylthiourea

1-(1H-indazol-4-yl)-3-methylthiourea (PubChem CID 1481954) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-methylthiourea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-methylthiourea
PubChem CID1481954
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name1-(1H-indazol-4-yl)-3-methylthiourea
SMILESCNC(=S)Nc1cccc2[nH]ncc12
InChIInChI=1S/C9H10N4S/c1-10-9(14)12-7-3-2-4-8-6(7)5-11-13-8/h2-5H,1H3,(H,11,13)(H2,10,12,14)
InChIKeyROLBCJOSTPZNOK-UHFFFAOYSA-N
XLogP1.48
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1H-indazol-4-yl)-3-methylthiourea 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

Indanidine
CID 121925
N,N'-Di(1H-indazol-6-yl)thiourea
CID 3003797
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
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
3-1H-indazol-4-yl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 23655242
3-1H-indazol-4-yl-1-{1-[4-(trifluoromethyl)phenyl]ethyl}urea
CID 24768208
3-1H-indazol-4-yl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 24768209
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-4-yl)-3-methylthiourea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-methylthiourea (CID 1481954) is 1-(1H-indazol-4-yl)-3-methylthiourea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-methylthiourea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-methylthiourea is CNC(=S)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-methylthiourea?
The InChIKey is ROLBCJOSTPZNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-10-9(14)12-7-3-2-4-8-6(7)5-11-13-8/h2-5H,1H3,(H,11,13)(H2,10,12,14).
What are the key properties of 1-(1H-indazol-4-yl)-3-methylthiourea?
1-(1H-indazol-4-yl)-3-methylthiourea has a molecular weight of 206.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-methylthiourea is sourced from PubChem (CID 1481954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).