3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine

C10H12ClN3O2S — CID 151742069

IUPAC3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine
SMILESO=[N+]([O-])CC1SCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H12ClN3O2S/c11-9-2-1-8(5-12-9)6-13-3-4-17-10(13)7-14(15)16/h1-2,5,10H,3-4,6-7H2
InChIKeyRMTAXJVZADFAGG-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.89
Rot. Bonds4

About 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine

3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine (PubChem CID 151742069) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine
PubChem CID151742069
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine
SMILESO=[N+]([O-])CC1SCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H12ClN3O2S/c11-9-2-1-8(5-12-9)6-13-3-4-17-10(13)7-14(15)16/h1-2,5,10H,3-4,6-7H2
InChIKeyRMTAXJVZADFAGG-UHFFFAOYSA-N
XLogP1.89
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-2,3-dimethylthiomorpholine
CID 115635244
2-chloro-5-[[2-[(1Z,4Z)-5-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-yl]-1,5-dinitropenta-1,4-dienyl]imidazolidin-1-yl]methyl]pyridine
CID 141227600
2-chloro-5-[[(2E)-3-ethyl-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
CID 101135006
N-[3-[(6-chloro-3-pyridinyl)methyl]-5-methyl-1,3,5-oxadiazinan-4-yl]nitramide
CID 58064078
(1R)-5-[(6-chloro-3-pyridinyl)methyl]-7-nitro-11-oxa-2,5-diazatricyclo[6.2.1.02,6]undec-6-ene
CID 175540746
(5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 122369895
(NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide
CID 22946101
(7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 172825826
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-4,4,5,5-tetradeuterioimidazolidin-2-ylidene]nitramide
CID 137183220
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
2-chloro-5-[(4-nitroimidazol-1-yl)methyl]pyridine
CID 24696081
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;propan-2-one
CID 136598165

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine (CID 151742069) is 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine is O=[N+]([O-])CC1SCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine?
The InChIKey is RMTAXJVZADFAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c11-9-2-1-8(5-12-9)6-13-3-4-17-10(13)7-14(15)16/h1-2,5,10H,3-4,6-7H2.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine?
3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine has a molecular weight of 273.75 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine is sourced from PubChem (CID 151742069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).