1-methyl-1-(1,3-thiazole-5-carbonylamino)urea

C6H8N4O2S — CID 130710603

IUPAC1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
SMILESCN(NC(=O)c1cncs1)C(N)=O
InChIInChI=1S/C6H8N4O2S/c1-10(6(7)12)9-5(11)4-2-8-3-13-4/h2-3H,1H3,(H2,7,12)(H,9,11)
InChIKeyNMMRLYOQFVOXRY-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.20
Rot. Bonds1

About 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea

1-methyl-1-(1,3-thiazole-5-carbonylamino)urea (PubChem CID 130710603) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea.

Molecular Properties

Compound Name1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
PubChem CID130710603
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Name1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
SMILESCN(NC(=O)c1cncs1)C(N)=O
InChIInChI=1S/C6H8N4O2S/c1-10(6(7)12)9-5(11)4-2-8-3-13-4/h2-3H,1H3,(H2,7,12)(H,9,11)
InChIKeyNMMRLYOQFVOXRY-UHFFFAOYSA-N
XLogP-0.20
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea?
The IUPAC name of 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea (CID 130710603) is 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea.
What is the SMILES notation for 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea?
The canonical SMILES for 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea is CN(NC(=O)c1cncs1)C(N)=O.
What is the InChIKey of 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea?
The InChIKey is NMMRLYOQFVOXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c1-10(6(7)12)9-5(11)4-2-8-3-13-4/h2-3H,1H3,(H2,7,12)(H,9,11).
What are the key properties of 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea?
1-methyl-1-(1,3-thiazole-5-carbonylamino)urea has a molecular weight of 200.22 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1,3-thiazole-5-carbonylamino)urea is sourced from PubChem (CID 130710603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).