[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea

C10H11ClN4OS — CID 86222983

IUPAC[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea
SMILESNC(=O)N=C1SCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16)
InChIKeyLEZHOZPJYAQQNU-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.72
Rot. Bonds2

About [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea

[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea (PubChem CID 86222983) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea.

Molecular Properties

Compound Name[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea
PubChem CID86222983
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea
SMILESNC(=O)N=C1SCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16)
InChIKeyLEZHOZPJYAQQNU-UHFFFAOYSA-N
XLogP1.72
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide
CID 115224
N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
CID 213021
Desnitro-imidacloprid
CID 10130527
Acetamiprid metabolite (IM-1-5)
CID 19967186
3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 9859386
N'-Carbamoyl-N-((6-chloro-3-pyridinyl)methyl)-N-methylethanimidamide
CID 73325014
3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-2-ylideneamine
CID 10130752
Thiacloprid Olefin
CID 14279657
(2Z)-3-[(6-chloropyridin-3-yl)methyl]-N-nitro-1,3-thiazol-2(3H)-imine
CID 14279649
3-(5-Azido-6-chloro-pyridin-3-ylmethyl)-3H-thiazol-2-ylidene-cyanamide
CID 44328681
2-[(4-Chlorophenyl)imino]-3-(3-pyridinylmethyl)-1,3-thiazolan-4-one
CID 2731366
1-(6-Chloro-3-pyridyl)methyl-2-iminopyrrolidine
CID 9794312

Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea?
The IUPAC name of [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea (CID 86222983) is [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea.
What is the SMILES notation for [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea?
The canonical SMILES for [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea is NC(=O)N=C1SCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea?
The InChIKey is LEZHOZPJYAQQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16).
What are the key properties of [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea?
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea has a molecular weight of 270.75 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]urea is sourced from PubChem (CID 86222983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).