1,3-bis(3-methyl-2-pyridinyl)thiourea

C13H14N4S — CID 3003755

IUPAC1,3-bis(3-methyl-2-pyridinyl)thiourea
SMILESCc1cccnc1NC(=S)Nc1ncccc1C
InChIInChI=1S/C13H14N4S/c1-9-5-3-7-14-11(9)16-13(18)17-12-10(2)6-4-8-15-12/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChIKeySLSXXOCGDJFZGQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.90
Rot. Bonds2

About 1,3-bis(3-methyl-2-pyridinyl)thiourea

1,3-bis(3-methyl-2-pyridinyl)thiourea (PubChem CID 3003755) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1,3-bis(3-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1,3-bis(3-methyl-2-pyridinyl)thiourea
PubChem CID3003755
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name1,3-bis(3-methyl-2-pyridinyl)thiourea
SMILESCc1cccnc1NC(=S)Nc1ncccc1C
InChIInChI=1S/C13H14N4S/c1-9-5-3-7-14-11(9)16-13(18)17-12-10(2)6-4-8-15-12/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChIKeySLSXXOCGDJFZGQ-UHFFFAOYSA-N
XLogP2.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.90
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

2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
2-Pyridinamine, N-methyl-
CID 20727
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
N,N'-Bis(3-pyridinylmethyl)thiourea
CID 688139
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
Urea, 1-cyclohexyl-3-(2-pyridyl)-2-thio-
CID 721803

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1,3-bis(3-methyl-2-pyridinyl)thiourea (CID 3003755) is 1,3-bis(3-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1,3-bis(3-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1,3-bis(3-methyl-2-pyridinyl)thiourea is Cc1cccnc1NC(=S)Nc1ncccc1C.
What is the InChIKey of 1,3-bis(3-methyl-2-pyridinyl)thiourea?
The InChIKey is SLSXXOCGDJFZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-9-5-3-7-14-11(9)16-13(18)17-12-10(2)6-4-8-15-12/h3-8H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 1,3-bis(3-methyl-2-pyridinyl)thiourea?
1,3-bis(3-methyl-2-pyridinyl)thiourea has a molecular weight of 258.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 3003755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).