[(3-iodothiophene-2-carbonyl)amino]thiourea

C6H6IN3OS2 — CID 130576836

IUPAC[(3-iodothiophene-2-carbonyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1sccc1I
InChIInChI=1S/C6H6IN3OS2/c7-3-1-2-13-4(3)5(11)9-10-6(8)12/h1-2H,(H,9,11)(H3,8,10,12)
InChIKeyCUKPLXHGLXZABZ-UHFFFAOYSA-N
MW327.17 g/mol
LogP0.83
Rot. Bonds1

About [(3-iodothiophene-2-carbonyl)amino]thiourea

[(3-iodothiophene-2-carbonyl)amino]thiourea (PubChem CID 130576836) has the molecular formula C6H6IN3OS2 and a molecular weight of 327.17 g/mol. Its IUPAC name is [(3-iodothiophene-2-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(3-iodothiophene-2-carbonyl)amino]thiourea
PubChem CID130576836
Molecular FormulaC6H6IN3OS2
Molecular Weight327.17 g/mol
Exact Mass326.90
IUPAC Name[(3-iodothiophene-2-carbonyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1sccc1I
InChIInChI=1S/C6H6IN3OS2/c7-3-1-2-13-4(3)5(11)9-10-6(8)12/h1-2H,(H,9,11)(H3,8,10,12)
InChIKeyCUKPLXHGLXZABZ-UHFFFAOYSA-N
XLogP0.83
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3-methylthiophene-2-carbonyl)amino]thiourea
CID 65214886
N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
CID 130992683
3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide
CID 130805140
benzamidothiourea
CID 781748
3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide
CID 130576413
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 130576160
3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide
CID 130783846
3-(3-iodothiophen-2-yl)-3-oxopropanenitrile
CID 130576825
N'-acetyl-3-bromothiophene-2-carbohydrazide
CID 47355220
(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 130765889

Frequently Asked Questions

What is the IUPAC name of [(3-iodothiophene-2-carbonyl)amino]thiourea?
The IUPAC name of [(3-iodothiophene-2-carbonyl)amino]thiourea (CID 130576836) is [(3-iodothiophene-2-carbonyl)amino]thiourea.
What is the SMILES notation for [(3-iodothiophene-2-carbonyl)amino]thiourea?
The canonical SMILES for [(3-iodothiophene-2-carbonyl)amino]thiourea is NC(=S)NNC(=O)c1sccc1I.
What is the InChIKey of [(3-iodothiophene-2-carbonyl)amino]thiourea?
The InChIKey is CUKPLXHGLXZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3OS2/c7-3-1-2-13-4(3)5(11)9-10-6(8)12/h1-2H,(H,9,11)(H3,8,10,12).
What are the key properties of [(3-iodothiophene-2-carbonyl)amino]thiourea?
[(3-iodothiophene-2-carbonyl)amino]thiourea has a molecular weight of 327.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-iodothiophene-2-carbonyl)amino]thiourea is sourced from PubChem (CID 130576836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).