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

C8H14N4S — CID 104693337

IUPAC1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
SMILESCNC(=S)NCCc1ccnn1C
InChIInChI=1S/C8H14N4S/c1-9-8(13)10-5-3-7-4-6-11-12(7)2/h4,6H,3,5H2,1-2H3,(H2,9,10,13)
InChIKeyHXHBHNKCTKYFBA-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.06
Rot. Bonds3

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

1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea (PubChem CID 104693337) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
PubChem CID104693337
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
SMILESCNC(=S)NCCc1ccnn1C
InChIInChI=1S/C8H14N4S/c1-9-8(13)10-5-3-7-4-6-11-12(7)2/h4,6H,3,5H2,1-2H3,(H2,9,10,13)
InChIKeyHXHBHNKCTKYFBA-UHFFFAOYSA-N
XLogP0.06
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylthiourea
CID 104693343
1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
CID 130987883
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103007035
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
CID 103007055
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19326815
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea?
The IUPAC name of 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea (CID 104693337) is 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea is CNC(=S)NCCc1ccnn1C.
What is the InChIKey of 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea?
The InChIKey is HXHBHNKCTKYFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-9-8(13)10-5-3-7-4-6-11-12(7)2/h4,6H,3,5H2,1-2H3,(H2,9,10,13).
What are the key properties of 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea?
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea has a molecular weight of 198.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea is sourced from PubChem (CID 104693337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).