aminothiourea;1-(9-propylcarbazol-3-yl)ethanone

C18H22N4OS — CID 158584717

IUPACaminothiourea;1-(9-propylcarbazol-3-yl)ethanone
SMILESCCCn1c2ccccc2c2cc(C(C)=O)ccc21.NNC(N)=S
InChIInChI=1S/C17H17NO.CH5N3S/c1-3-10-18-16-7-5-4-6-14(16)15-11-13(12(2)19)8-9-17(15)18;2-1(5)4-3/h4-9,11H,3,10H2,1-2H3;3H2,(H3,2,4,5)
InChIKeyHTRLCDDWRWXCGO-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.10
Rot. Bonds3

About aminothiourea;1-(9-propylcarbazol-3-yl)ethanone

aminothiourea;1-(9-propylcarbazol-3-yl)ethanone (PubChem CID 158584717) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is aminothiourea;1-(9-propylcarbazol-3-yl)ethanone.

Molecular Properties

Compound Nameaminothiourea;1-(9-propylcarbazol-3-yl)ethanone
PubChem CID158584717
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Nameaminothiourea;1-(9-propylcarbazol-3-yl)ethanone
SMILESCCCn1c2ccccc2c2cc(C(C)=O)ccc21.NNC(N)=S
InChIInChI=1S/C17H17NO.CH5N3S/c1-3-10-18-16-7-5-4-6-14(16)15-11-13(12(2)19)8-9-17(15)18;2-1(5)4-3/h4-9,11H,3,10H2,1-2H3;3H2,(H3,2,4,5)
InChIKeyHTRLCDDWRWXCGO-UHFFFAOYSA-N
XLogP3.10
TPSA86.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 aminothiourea;1-(9-propylcarbazol-3-yl)ethanone?
The IUPAC name of aminothiourea;1-(9-propylcarbazol-3-yl)ethanone (CID 158584717) is aminothiourea;1-(9-propylcarbazol-3-yl)ethanone.
What is the SMILES notation for aminothiourea;1-(9-propylcarbazol-3-yl)ethanone?
The canonical SMILES for aminothiourea;1-(9-propylcarbazol-3-yl)ethanone is CCCn1c2ccccc2c2cc(C(C)=O)ccc21.NNC(N)=S.
What is the InChIKey of aminothiourea;1-(9-propylcarbazol-3-yl)ethanone?
The InChIKey is HTRLCDDWRWXCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.CH5N3S/c1-3-10-18-16-7-5-4-6-14(16)15-11-13(12(2)19)8-9-17(15)18;2-1(5)4-3/h4-9,11H,3,10H2,1-2H3;3H2,(H3,2,4,5).
What are the key properties of aminothiourea;1-(9-propylcarbazol-3-yl)ethanone?
aminothiourea;1-(9-propylcarbazol-3-yl)ethanone has a molecular weight of 342.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminothiourea;1-(9-propylcarbazol-3-yl)ethanone is sourced from PubChem (CID 158584717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).