3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea

C11H17N5OS — CID 83121797

IUPAC3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C11H17N5OS/c1-16(2)11(17)14-7-6-13-9-5-3-4-8(15-9)10(12)18/h3-5H,6-7H2,1-2H3,(H2,12,18)(H,13,15)(H,14,17)
InChIKeyIWEDZNWGJPQDOG-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.40
Rot. Bonds5

About 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea

3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83121797) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
PubChem CID83121797
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C11H17N5OS/c1-16(2)11(17)14-7-6-13-9-5-3-4-8(15-9)10(12)18/h3-5H,6-7H2,1-2H3,(H2,12,18)(H,13,15)(H,14,17)
InChIKeyIWEDZNWGJPQDOG-UHFFFAOYSA-N
XLogP0.40
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 83117476
3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83112211
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
3-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83120944
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 113406261
6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
CID 64587863
6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
CID 64588815
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide
CID 64588030
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea (CID 83121797) is 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNc1cccc(C(N)=S)n1.
What is the InChIKey of 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is IWEDZNWGJPQDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-16(2)11(17)14-7-6-13-9-5-3-4-8(15-9)10(12)18/h3-5H,6-7H2,1-2H3,(H2,12,18)(H,13,15)(H,14,17).
What are the key properties of 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 267.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83121797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).