1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea

C9H13N3OS2 — CID 18273550

IUPAC1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea
SMILESCC(C)NC(=S)NNC(=O)c1ccsc1
InChIInChI=1S/C9H13N3OS2/c1-6(2)10-9(14)12-11-8(13)7-3-4-15-5-7/h3-6H,1-2H3,(H,11,13)(H2,10,12,14)
InChIKeyISKQDNBMYSNERH-UHFFFAOYSA-N
MW243.36 g/mol
LogP1.27
Rot. Bonds2

About 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea

1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea (PubChem CID 18273550) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea
PubChem CID18273550
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC Name1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea
SMILESCC(C)NC(=S)NNC(=O)c1ccsc1
InChIInChI=1S/C9H13N3OS2/c1-6(2)10-9(14)12-11-8(13)7-3-4-15-5-7/h3-6H,1-2H3,(H,11,13)(H2,10,12,14)
InChIKeyISKQDNBMYSNERH-UHFFFAOYSA-N
XLogP1.27
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea?
The IUPAC name of 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea (CID 18273550) is 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea.
What is the SMILES notation for 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea?
The canonical SMILES for 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea is CC(C)NC(=S)NNC(=O)c1ccsc1.
What is the InChIKey of 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea?
The InChIKey is ISKQDNBMYSNERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c1-6(2)10-9(14)12-11-8(13)7-3-4-15-5-7/h3-6H,1-2H3,(H,11,13)(H2,10,12,14).
What are the key properties of 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea?
1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea has a molecular weight of 243.36 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(thiophene-3-carbonylamino)thiourea is sourced from PubChem (CID 18273550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).