1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea

C10H11N5OS — CID 22302854

IUPAC1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea
SMILESCN(Nc1ccc(-c2csnn2)cc1)C(N)=O
InChIInChI=1S/C10H11N5OS/c1-15(10(11)16)13-8-4-2-7(3-5-8)9-6-17-14-12-9/h2-6,13H,1H3,(H2,11,16)
InChIKeyHDWNFGRKVIFNOC-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.54
Rot. Bonds3

About 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea

1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea (PubChem CID 22302854) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea.

Molecular Properties

Compound Name1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea
PubChem CID22302854
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea
SMILESCN(Nc1ccc(-c2csnn2)cc1)C(N)=O
InChIInChI=1S/C10H11N5OS/c1-15(10(11)16)13-8-4-2-7(3-5-8)9-6-17-14-12-9/h2-6,13H,1H3,(H2,11,16)
InChIKeyHDWNFGRKVIFNOC-UHFFFAOYSA-N
XLogP1.54
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2,3-Thiadiazol-4-yl)aniline
CID 2739170
1-Hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 42646083
N-Isopropyl-2-[4-(1,2,3-thiadiazol-4-yl)phenyl]hydrazine-1-carboxamide
CID 590656
1-Methyl-3-[4-(thiadiazol-4-yl)anilino]urea
CID 2739316
[3-(Thiadiazol-4-yl)phenyl]hydrazine
CID 69346760
[4-(Thiadiazol-4-yl)phenyl]urea
CID 123562440
4-Phenylthiadiazole;urea
CID 159775184
1-Propan-2-yl-1-[4-(thiadiazol-4-yl)anilino]urea
CID 22217008
1-Methyl-3-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]urea
CID 22302846
1-(2-Methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 47386673
1-Propan-2-yl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 47386680
1-Pentyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 47386683

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea?
The IUPAC name of 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea (CID 22302854) is 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea.
What is the SMILES notation for 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea?
The canonical SMILES for 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea is CN(Nc1ccc(-c2csnn2)cc1)C(N)=O.
What is the InChIKey of 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea?
The InChIKey is HDWNFGRKVIFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-15(10(11)16)13-8-4-2-7(3-5-8)9-6-17-14-12-9/h2-6,13H,1H3,(H2,11,16).
What are the key properties of 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea?
1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea has a molecular weight of 249.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[4-(thiadiazol-4-yl)anilino]urea is sourced from PubChem (CID 22302854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).