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

C10H11ClN4S — CID 20643132

IUPAC[1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide
SMILESN#C/N=C1\CCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C10H11ClN4S/c11-10-13-5-8(16-10)6-15-4-2-1-3-9(15)14-7-12/h5H,1-4,6H2/b14-9+
InChIKeyDITCUPKTSSXEOU-NTEUORMPSA-N
MW254.75 g/mol
LogP2.66
Rot. Bonds2

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

[1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide (PubChem CID 20643132) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide
PubChem CID20643132
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide
SMILESN#C/N=C1\CCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C10H11ClN4S/c11-10-13-5-8(16-10)6-15-4-2-1-3-9(15)14-7-12/h5H,1-4,6H2/b14-9+
InChIKeyDITCUPKTSSXEOU-NTEUORMPSA-N
XLogP2.66
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide?
The IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide (CID 20643132) is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide.
What is the SMILES notation for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide?
The canonical SMILES for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide is N#C/N=C1\CCCCN1Cc1cnc(Cl)s1.
What is the InChIKey of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide?
The InChIKey is DITCUPKTSSXEOU-NTEUORMPSA-N. The full InChI is InChI=1S/C10H11ClN4S/c11-10-13-5-8(16-10)6-15-4-2-1-3-9(15)14-7-12/h5H,1-4,6H2/b14-9+.
What are the key properties of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide?
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide has a molecular weight of 254.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide is sourced from PubChem (CID 20643132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).