[(3-methylthiophene-2-carbonyl)amino]urea

C7H9N3O2S — CID 63001953

IUPAC[(3-methylthiophene-2-carbonyl)amino]urea
SMILESCc1ccsc1C(=O)NNC(N)=O
InChIInChI=1S/C7H9N3O2S/c1-4-2-3-13-5(4)6(11)9-10-7(8)12/h2-3H,1H3,(H,9,11)(H3,8,10,12)
InChIKeyGEUCXBIIOXHYEM-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.37
Rot. Bonds1

About [(3-methylthiophene-2-carbonyl)amino]urea

[(3-methylthiophene-2-carbonyl)amino]urea (PubChem CID 63001953) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is [(3-methylthiophene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name[(3-methylthiophene-2-carbonyl)amino]urea
PubChem CID63001953
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name[(3-methylthiophene-2-carbonyl)amino]urea
SMILESCc1ccsc1C(=O)NNC(N)=O
InChIInChI=1S/C7H9N3O2S/c1-4-2-3-13-5(4)6(11)9-10-7(8)12/h2-3H,1H3,(H,9,11)(H3,8,10,12)
InChIKeyGEUCXBIIOXHYEM-UHFFFAOYSA-N
XLogP0.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3-methylthiophene-2-carbonyl)amino]thiourea
CID 65214886
N'-(3-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 7677905
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
2-(3-methylthiophen-2-yl)-2-oxoacetamide
CID 116924521
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 7809007
3-methyl-N-phenylmethoxythiophene-2-carboxamide
CID 30796107
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 107845769
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
CID 103895410
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816

Frequently Asked Questions

What is the IUPAC name of [(3-methylthiophene-2-carbonyl)amino]urea?
The IUPAC name of [(3-methylthiophene-2-carbonyl)amino]urea (CID 63001953) is [(3-methylthiophene-2-carbonyl)amino]urea.
What is the SMILES notation for [(3-methylthiophene-2-carbonyl)amino]urea?
The canonical SMILES for [(3-methylthiophene-2-carbonyl)amino]urea is Cc1ccsc1C(=O)NNC(N)=O.
What is the InChIKey of [(3-methylthiophene-2-carbonyl)amino]urea?
The InChIKey is GEUCXBIIOXHYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4-2-3-13-5(4)6(11)9-10-7(8)12/h2-3H,1H3,(H,9,11)(H3,8,10,12).
What are the key properties of [(3-methylthiophene-2-carbonyl)amino]urea?
[(3-methylthiophene-2-carbonyl)amino]urea has a molecular weight of 199.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylthiophene-2-carbonyl)amino]urea is sourced from PubChem (CID 63001953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).