1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea

C6H11N5S — CID 102806211

IUPAC1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea
SMILESCc1nn(C)cc1NC(=S)NN
InChIInChI=1S/C6H11N5S/c1-4-5(3-11(2)10-4)8-6(12)9-7/h3H,7H2,1-2H3,(H2,8,9,12)
InChIKeyGYFPEDUEDJUOQB-UHFFFAOYSA-N
MW185.26 g/mol
LogP-0.11
Rot. Bonds1

About 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea

1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea (PubChem CID 102806211) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea
PubChem CID102806211
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea
SMILESCc1nn(C)cc1NC(=S)NN
InChIInChI=1S/C6H11N5S/c1-4-5(3-11(2)10-4)8-6(12)9-7/h3H,7H2,1-2H3,(H2,8,9,12)
InChIKeyGYFPEDUEDJUOQB-UHFFFAOYSA-N
XLogP-0.11
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 19342847
1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea
CID 4776356
1-(1,3-dimethylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 4863091
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine
CID 102805925
2-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 175836432
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
4-amino-N-(1,3-dimethylpyrazol-4-yl)-6-methylpyridine-3-carboxamide
CID 102807226
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The IUPAC name of 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea (CID 102806211) is 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea.
What is the SMILES notation for 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The canonical SMILES for 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea is Cc1nn(C)cc1NC(=S)NN.
What is the InChIKey of 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The InChIKey is GYFPEDUEDJUOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-4-5(3-11(2)10-4)8-6(12)9-7/h3H,7H2,1-2H3,(H2,8,9,12).
What are the key properties of 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea?
1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea has a molecular weight of 185.26 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea is sourced from PubChem (CID 102806211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).