1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea

C15H24N4S — CID 100621309

IUPAC1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea
SMILESCc1cccnc1NC(=S)NCCCN1CCCCC1
InChIInChI=1S/C15H24N4S/c1-13-7-5-8-16-14(13)18-15(20)17-9-6-12-19-10-3-2-4-11-19/h5,7-8H,2-4,6,9-12H2,1H3,(H2,16,17,18,20)
InChIKeyVLMHFGDBIUJKRY-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea

1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea (PubChem CID 100621309) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea
PubChem CID100621309
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea
SMILESCc1cccnc1NC(=S)NCCCN1CCCCC1
InChIInChI=1S/C15H24N4S/c1-13-7-5-8-16-14(13)18-15(20)17-9-6-12-19-10-3-2-4-11-19/h5,7-8H,2-4,6,9-12H2,1H3,(H2,16,17,18,20)
InChIKeyVLMHFGDBIUJKRY-UHFFFAOYSA-N
XLogP2.55
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(3-methyl-2-pyridinyl)thiourea
CID 19685982
1-(3-imidazol-1-ylpropyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 100665297
1-(4-methyl-2-pyridinyl)-3-(3-pyrrolidin-1-ylpropyl)thiourea
CID 100631270
1-[3-(azepan-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 94876840
1-[3-(azepan-1-yl)propyl]-3-(4-bromo-3-methylphenyl)thiourea
CID 100616502
1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
CID 3002933
1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 72861388
1-[3-(azepan-1-yl)propyl]-3-(3-ethoxyphenyl)thiourea
CID 100616869
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea
CID 19703669
N,N-dimethyl-4-(3-piperidin-1-ylpropylcarbamothioylamino)benzamide
CID 100621294
methyl 3-(3-piperidin-1-ylpropylcarbamothioylamino)benzoate
CID 100620973

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea (CID 100621309) is 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea is Cc1cccnc1NC(=S)NCCCN1CCCCC1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea?
The InChIKey is VLMHFGDBIUJKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-13-7-5-8-16-14(13)18-15(20)17-9-6-12-19-10-3-2-4-11-19/h5,7-8H,2-4,6,9-12H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea?
1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea has a molecular weight of 292.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea is sourced from PubChem (CID 100621309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).