1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea

C7H13N5S — CID 103008072

IUPAC1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
SMILESCn1nccc1CCNC(=S)NN
InChIInChI=1S/C7H13N5S/c1-12-6(3-5-10-12)2-4-9-7(13)11-8/h3,5H,2,4,8H2,1H3,(H2,9,11,13)
InChIKeyHBFDJKCVRVHPCF-UHFFFAOYSA-N
MW199.28 g/mol
LogP-0.70
Rot. Bonds3

About 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea

1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea (PubChem CID 103008072) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
PubChem CID103008072
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
SMILESCn1nccc1CCNC(=S)NN
InChIInChI=1S/C7H13N5S/c1-12-6(3-5-10-12)2-4-9-7(13)11-8/h3,5H,2,4,8H2,1H3,(H2,9,11,13)
InChIKeyHBFDJKCVRVHPCF-UHFFFAOYSA-N
XLogP-0.70
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 5-0.70
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

1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylthiourea
CID 104693343
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103007035
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
CID 103007055
1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
CID 130987883
4-amino-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 103004054
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103006889
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea?
The IUPAC name of 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea (CID 103008072) is 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea is Cn1nccc1CCNC(=S)NN.
What is the InChIKey of 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea?
The InChIKey is HBFDJKCVRVHPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-12-6(3-5-10-12)2-4-9-7(13)11-8/h3,5H,2,4,8H2,1H3,(H2,9,11,13).
What are the key properties of 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea?
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea has a molecular weight of 199.28 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea is sourced from PubChem (CID 103008072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).