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

C8H8ClN5S — CID 15925046

IUPAC[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide
SMILESN#CNC1=NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C8H8ClN5S/c9-7-12-3-6(15-7)4-14-2-1-11-8(14)13-5-10/h3H,1-2,4H2,(H,11,13)
InChIKeyZIFIJGFUAIMEBA-UHFFFAOYSA-N
MW241.71 g/mol
LogP1.04
Rot. Bonds2

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

[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide (PubChem CID 15925046) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide.

Molecular Properties

Compound Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide
PubChem CID15925046
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide
SMILESN#CNC1=NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C8H8ClN5S/c9-7-12-3-6(15-7)4-14-2-1-11-8(14)13-5-10/h3H,1-2,4H2,(H,11,13)
InChIKeyZIFIJGFUAIMEBA-UHFFFAOYSA-N
XLogP1.04
TPSA64.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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]-4,5-dihydroimidazol-2-yl]cyanamide?
The IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide (CID 15925046) is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide.
What is the SMILES notation for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide?
The canonical SMILES for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide is N#CNC1=NCCN1Cc1cnc(Cl)s1.
What is the InChIKey of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide?
The InChIKey is ZIFIJGFUAIMEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c9-7-12-3-6(15-7)4-14-2-1-11-8(14)13-5-10/h3H,1-2,4H2,(H,11,13).
What are the key properties of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide?
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide has a molecular weight of 241.71 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide is sourced from PubChem (CID 15925046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).