(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide

C7H7ClN4O2S2 — CID 52951428

IUPAC(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1\SCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H7ClN4O2S2/c8-6-9-3-5(16-6)4-11-1-2-15-7(11)10-12(13)14/h3H,1-2,4H2/b10-7-
InChIKeyHZFPNFMODYVKJR-YFHOEESVSA-N
MW278.75 g/mol
LogP1.89
Rot. Bonds3

About (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide

(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide (PubChem CID 52951428) has the molecular formula C7H7ClN4O2S2 and a molecular weight of 278.75 g/mol. Its IUPAC name is (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide
PubChem CID52951428
Molecular FormulaC7H7ClN4O2S2
Molecular Weight278.75 g/mol
Exact Mass277.97
IUPAC Name(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1\SCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H7ClN4O2S2/c8-6-9-3-5(16-6)4-11-1-2-15-7(11)10-12(13)14/h3H,1-2,4H2/b10-7-
InChIKeyHZFPNFMODYVKJR-YFHOEESVSA-N
XLogP1.89
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide (CID 52951428) is (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide is O=[N+]([O-])/N=C1\SCCN1Cc1cnc(Cl)s1.
What is the InChIKey of (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide?
The InChIKey is HZFPNFMODYVKJR-YFHOEESVSA-N. The full InChI is InChI=1S/C7H7ClN4O2S2/c8-6-9-3-5(16-6)4-11-1-2-15-7(11)10-12(13)14/h3H,1-2,4H2/b10-7-.
What are the key properties of (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide?
(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide has a molecular weight of 278.75 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide is sourced from PubChem (CID 52951428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).