3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea

C14H22N4S — CID 3005700

IUPAC3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)NN=Cc1cccc(C)n1
InChIInChI=1S/C14H22N4S/c1-4-9-18(10-5-2)14(19)17-15-11-13-8-6-7-12(3)16-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyFRWBTUMOMNIVOB-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.72
Rot. Bonds6

About 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea

3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea (PubChem CID 3005700) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea
PubChem CID3005700
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)NN=Cc1cccc(C)n1
InChIInChI=1S/C14H22N4S/c1-4-9-18(10-5-2)14(19)17-15-11-13-8-6-7-12(3)16-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyFRWBTUMOMNIVOB-UHFFFAOYSA-N
XLogP2.72
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Dp44mT
CID 10334137
(2E)-2-(1-(2-Pyridinyl)ethylidene)hydrazinecarbothioamide
CID 5480198
methyl N-((E)-1-pyridin-2-ylethylideneamino)carbamodithioate
CID 5947235
4-Ethyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide
CID 5920829
2-Acetylpyridine-(4-phenylthiosemicarbazone)
CID 5479699
N-[(E)-1-pyridin-2-ylethylideneamino]pyrrolidine-1-carbothioamide
CID 5484394
N,N-Dimethyl-2-[1-(2-pyridinyl)ethylidene]hydrazinecarbothioamide
CID 3005617
1-Piperidinecarbothioic acid, 2-(1-(2-pyridinyl)ethylidene)hydrazide
CID 3005684
N'-(1-(Pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide
CID 5351307
Thiosemicarbazone H
CID 5494319
Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone
CID 57380301
1-Phenyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3000575

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea (CID 3005700) is 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea is CCCN(CCC)C(=S)NN=Cc1cccc(C)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea?
The InChIKey is FRWBTUMOMNIVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-9-18(10-5-2)14(19)17-15-11-13-8-6-7-12(3)16-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea?
3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea has a molecular weight of 278.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea is sourced from PubChem (CID 3005700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).