(2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide

C6H5N5OS — CID 175378183

IUPAC(2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide
SMILESN#CN(C#N)OCc1csc(N)n1
InChIInChI=1S/C6H5N5OS/c7-3-11(4-8)12-1-5-2-13-6(9)10-5/h2H,1H2,(H2,9,10)
InChIKeyRYVYYXYIWJMNTF-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.42
Rot. Bonds3

About (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide

(2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide (PubChem CID 175378183) has the molecular formula C6H5N5OS and a molecular weight of 195.21 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide
PubChem CID175378183
Molecular FormulaC6H5N5OS
Molecular Weight195.21 g/mol
Exact Mass195.02
IUPAC Name(2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide
SMILESN#CN(C#N)OCc1csc(N)n1
InChIInChI=1S/C6H5N5OS/c7-3-11(4-8)12-1-5-2-13-6(9)10-5/h2H,1H2,(H2,9,10)
InChIKeyRYVYYXYIWJMNTF-UHFFFAOYSA-N
XLogP0.42
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine
CID 43137916
4-[(2,4,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 82086931
4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
CID 43144743
4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 102981948
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 28913056
4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 72716242
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
CID 160840726
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
CID 114341140
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 21090604

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide (CID 175378183) is (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide is N#CN(C#N)OCc1csc(N)n1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide?
The InChIKey is RYVYYXYIWJMNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5OS/c7-3-11(4-8)12-1-5-2-13-6(9)10-5/h2H,1H2,(H2,9,10).
What are the key properties of (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide?
(2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide has a molecular weight of 195.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)methoxy-cyanocyanamide is sourced from PubChem (CID 175378183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).