[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide

C10H7ClN4S — CID 14279657

IUPAC[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide
SMILESN#C/N=c1\sccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H7ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-5H,6H2/b14-10-
InChIKeyGSPNWTCHDVQYCA-UVTDQMKNSA-N
MW250.71 g/mol
LogP2.03
Rot. Bonds2

About [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide

[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide (PubChem CID 14279657) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide
PubChem CID14279657
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide
SMILESN#C/N=c1\sccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H7ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-5H,6H2/b14-10-
InChIKeyGSPNWTCHDVQYCA-UVTDQMKNSA-N
XLogP2.03
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide?
The IUPAC name of [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide (CID 14279657) is [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide.
What is the SMILES notation for [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide?
The canonical SMILES for [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide is N#C/N=c1\sccn1Cc1ccc(Cl)nc1.
What is the InChIKey of [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide?
The InChIKey is GSPNWTCHDVQYCA-UVTDQMKNSA-N. The full InChI is InChI=1S/C10H7ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-5H,6H2/b14-10-.
What are the key properties of [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide?
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]cyanamide has a molecular weight of 250.71 g/mol, XLogP of 2.03, 2 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]-1,3-thiazol-2-ylidene]cyanamide is sourced from PubChem (CID 14279657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).