[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide

C9H10FN5S — CID 15925069

IUPAC[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NCCCN1Cc1cnc(F)s1
InChIInChI=1S/C9H10FN5S/c10-8-13-4-7(16-8)5-15-3-1-2-12-9(15)14-6-11/h4H,1-3,5H2,(H,12,14)
InChIKeyRFZQXKRTAWAVGG-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.91
Rot. Bonds2

About [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide

[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide (PubChem CID 15925069) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
PubChem CID15925069
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC Name[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NCCCN1Cc1cnc(F)s1
InChIInChI=1S/C9H10FN5S/c10-8-13-4-7(16-8)5-15-3-1-2-12-9(15)14-6-11/h4H,1-3,5H2,(H,12,14)
InChIKeyRFZQXKRTAWAVGG-UHFFFAOYSA-N
XLogP0.91
TPSA64.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.91
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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Related Compounds

N-[(2-Chloro-5-thiazolyl)methyl]-N'-methylguanidine
CID 71372509
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-methylethanimidamide
CID 9837492
[6-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide
CID 11459846
Cyanamide, (1-((2-chloro-5-thiazolyl)methyl)-1,4,5,6-tetrahydro-2-pyrimidinyl)-
CID 183381
[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-4H-pyrimidin-2-yl]cyanamide
CID 22405387
[3-[(2-Fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 87081656
N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide
CID 87082693
1-[(2-Fluoro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
CID 136355689
1-[(2-Fluoro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
CID 140573525
1-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 141374800
5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 141374842
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-(2,2-difluoroethyl)ethanimidamide
CID 24760046

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide?
The IUPAC name of [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide (CID 15925069) is [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide?
The canonical SMILES for [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide is N#CNC1=NCCCN1Cc1cnc(F)s1.
What is the InChIKey of [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide?
The InChIKey is RFZQXKRTAWAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/c10-8-13-4-7(16-8)5-15-3-1-2-12-9(15)14-6-11/h4H,1-3,5H2,(H,12,14).
What are the key properties of [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide?
[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide has a molecular weight of 239.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 15925069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).