1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

C8H15N5S — CID 79242122

IUPAC1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
SMILESCc1nn(C)c(C)c1CNC(=S)NN
InChIInChI=1S/C8H15N5S/c1-5-7(4-10-8(14)11-9)6(2)13(3)12-5/h4,9H2,1-3H3,(H2,10,11,14)
InChIKeyICKWJFIVGLZAGS-UHFFFAOYSA-N
MW213.31 g/mol
LogP-0.13
Rot. Bonds2

About 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea (PubChem CID 79242122) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
PubChem CID79242122
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
SMILESCc1nn(C)c(C)c1CNC(=S)NN
InChIInChI=1S/C8H15N5S/c1-5-7(4-10-8(14)11-9)6(2)13(3)12-5/h4,9H2,1-3H3,(H2,10,11,14)
InChIKeyICKWJFIVGLZAGS-UHFFFAOYSA-N
XLogP-0.13
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 5-0.13
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'}

Analyze 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea 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

1-(furan-2-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17282055
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 19324813
1-(2,3-dichlorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17380759
1-(5-chloro-2-methylphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17283812
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 19324816
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
CID 79237251
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]propanoate
CID 20964095
2-methyl-1-propyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111782738
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
The IUPAC name of 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea (CID 79242122) is 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea.
What is the SMILES notation for 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
The canonical SMILES for 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea is Cc1nn(C)c(C)c1CNC(=S)NN.
What is the InChIKey of 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
The InChIKey is ICKWJFIVGLZAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-5-7(4-10-8(14)11-9)6(2)13(3)12-5/h4,9H2,1-3H3,(H2,10,11,14).
What are the key properties of 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea?
1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea has a molecular weight of 213.31 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea is sourced from PubChem (CID 79242122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).