1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea

C11H11N5O2S — CID 1491465

IUPAC1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea
SMILESCc1nnsc1C(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C11H11N5O2S/c1-7-9(19-16-13-7)10(17)14-15-11(18)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,17)(H2,12,15,18)
InChIKeyNBGUABQPIPJAPA-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.31
Rot. Bonds2

About 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea

1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea (PubChem CID 1491465) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea
PubChem CID1491465
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea
SMILESCc1nnsc1C(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C11H11N5O2S/c1-7-9(19-16-13-7)10(17)14-15-11(18)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,17)(H2,12,15,18)
InChIKeyNBGUABQPIPJAPA-UHFFFAOYSA-N
XLogP1.31
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea?
The IUPAC name of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea (CID 1491465) is 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea is Cc1nnsc1C(=O)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea?
The InChIKey is NBGUABQPIPJAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-7-9(19-16-13-7)10(17)14-15-11(18)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,17)(H2,12,15,18).
What are the key properties of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea?
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea has a molecular weight of 277.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylurea is sourced from PubChem (CID 1491465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).