[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide

C10H10ClN5OS — CID 10913029

IUPAC[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide
SMILESCN1CCN(Cc2cnc(Cl)s2)/C(=N/C#N)C1=O
InChIInChI=1S/C10H10ClN5OS/c1-15-2-3-16(8(9(15)17)14-6-12)5-7-4-13-10(11)18-7/h4H,2-3,5H2,1H3/b14-8+
InChIKeyVBRKFTSGUXSHIC-RIYZIHGNSA-N
MW283.74 g/mol
LogP0.95
Rot. Bonds2

About [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide

[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide (PubChem CID 10913029) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide
PubChem CID10913029
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide
SMILESCN1CCN(Cc2cnc(Cl)s2)/C(=N/C#N)C1=O
InChIInChI=1S/C10H10ClN5OS/c1-15-2-3-16(8(9(15)17)14-6-12)5-7-4-13-10(11)18-7/h4H,2-3,5H2,1H3/b14-8+
InChIKeyVBRKFTSGUXSHIC-RIYZIHGNSA-N
XLogP0.95
TPSA72.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide?
The IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide (CID 10913029) is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide.
What is the SMILES notation for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide?
The canonical SMILES for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide is CN1CCN(Cc2cnc(Cl)s2)/C(=N/C#N)C1=O.
What is the InChIKey of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide?
The InChIKey is VBRKFTSGUXSHIC-RIYZIHGNSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-15-2-3-16(8(9(15)17)14-6-12)5-7-4-13-10(11)18-7/h4H,2-3,5H2,1H3/b14-8+.
What are the key properties of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide?
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide has a molecular weight of 283.74 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide is sourced from PubChem (CID 10913029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).