1-amino-3-(4-methyl-2-pyridinyl)thiourea

C7H10N4S — CID 55279966

IUPAC1-amino-3-(4-methyl-2-pyridinyl)thiourea
SMILESCc1ccnc(NC(=S)NN)c1
InChIInChI=1S/C7H10N4S/c1-5-2-3-9-6(4-5)10-7(12)11-8/h2-4H,8H2,1H3,(H2,9,10,11,12)
InChIKeyCKSOGROBKKPXON-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.55
Rot. Bonds1

About 1-amino-3-(4-methyl-2-pyridinyl)thiourea

1-amino-3-(4-methyl-2-pyridinyl)thiourea (PubChem CID 55279966) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-amino-3-(4-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(4-methyl-2-pyridinyl)thiourea
PubChem CID55279966
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name1-amino-3-(4-methyl-2-pyridinyl)thiourea
SMILESCc1ccnc(NC(=S)NN)c1
InChIInChI=1S/C7H10N4S/c1-5-2-3-9-6(4-5)10-7(12)11-8/h2-4H,8H2,1H3,(H2,9,10,11,12)
InChIKeyCKSOGROBKKPXON-UHFFFAOYSA-N
XLogP0.55
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
CID 170549235
1-butan-2-yl-3-(4-methyl-2-pyridinyl)thiourea
CID 127064169
1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 100772366
1-(5-chloro-2-methylphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 19686024
1-(4-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)thiourea
CID 100565567
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 5249645
1-(2,2-diethoxyethyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 10684411
N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide
CID 21131959
1-[2-(N,4-dimethylanilino)ethyl]-3-(4-methyl-2-pyridinyl)thiourea
CID 100754160
1-(4-methyl-2-pyridinyl)-3-[(2R)-1-phenoxypropan-2-yl]thiourea
CID 100750928
1-(4-methyl-2-pyridinyl)-3-(3-pyrrolidin-1-ylpropyl)thiourea
CID 100631270
3-chloro-N-[(4-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 881307

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-amino-3-(4-methyl-2-pyridinyl)thiourea (CID 55279966) is 1-amino-3-(4-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-amino-3-(4-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-amino-3-(4-methyl-2-pyridinyl)thiourea is Cc1ccnc(NC(=S)NN)c1.
What is the InChIKey of 1-amino-3-(4-methyl-2-pyridinyl)thiourea?
The InChIKey is CKSOGROBKKPXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-5-2-3-9-6(4-5)10-7(12)11-8/h2-4H,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 1-amino-3-(4-methyl-2-pyridinyl)thiourea?
1-amino-3-(4-methyl-2-pyridinyl)thiourea has a molecular weight of 182.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 55279966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).