1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea

C10H15N3OS2 — CID 9426016

IUPAC1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea
SMILESCC(C)(C)NC(=S)NNC(=O)c1ccsc1
InChIInChI=1S/C10H15N3OS2/c1-10(2,3)11-9(15)13-12-8(14)7-4-5-16-6-7/h4-6H,1-3H3,(H,12,14)(H2,11,13,15)
InChIKeyHSGWGZQLHCSXOY-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.66
Rot. Bonds1

About 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea

1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea (PubChem CID 9426016) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea.

Molecular Properties

Compound Name1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea
PubChem CID9426016
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea
SMILESCC(C)(C)NC(=S)NNC(=O)c1ccsc1
InChIInChI=1S/C10H15N3OS2/c1-10(2,3)11-9(15)13-12-8(14)7-4-5-16-6-7/h4-6H,1-3H3,(H,12,14)(H2,11,13,15)
InChIKeyHSGWGZQLHCSXOY-UHFFFAOYSA-N
XLogP1.66
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

thiophene-3-carboxylic acid N'-isopropyl-hydrazide
CID 59642162
1-Methyl-3-(thiophene-3-carbonylamino)thiourea
CID 2820647
1-(2-Methylpropyl)-3-(thiophene-3-carbonylamino)urea
CID 47428067
4-Ethyl-2-propyl-1-(3-thenoyl) semicarbazide
CID 54099638
(Thiophene-3-carbonylamino)urea
CID 64207645
N'-acetylthiophene-3-carbohydrazide
CID 123302382
N'-(3-methylbut-2-enoyl)thiophene-3-carbohydrazide
CID 140662677
1-Butyl-3-(thiophene-3-carbonylamino)thiourea
CID 4092470
1-[(2S)-2-methylheptyl]-3-(thiophene-3-carbonylamino)thiourea
CID 9328300
1-Propan-2-yl-3-(thiophene-3-carbonylamino)thiourea
CID 18273550
N'-(3-methylbutanoyl)thiophene-3-carbohydrazide
CID 24677473
(Thiophene-3-carbonylamino)thiourea
CID 65217366

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea?
The IUPAC name of 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea (CID 9426016) is 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea.
What is the SMILES notation for 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea?
The canonical SMILES for 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea is CC(C)(C)NC(=S)NNC(=O)c1ccsc1.
What is the InChIKey of 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea?
The InChIKey is HSGWGZQLHCSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-10(2,3)11-9(15)13-12-8(14)7-4-5-16-6-7/h4-6H,1-3H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea?
1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea has a molecular weight of 257.38 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(thiophene-3-carbonylamino)thiourea is sourced from PubChem (CID 9426016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).