3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione

C14H20N4O2S — CID 124575636

IUPAC3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione
SMILESCCc1nc2c(s1)[C@@H](NCCN1C(=O)CNC1=O)CCC2
InChIInChI=1S/C14H20N4O2S/c1-2-11-17-10-5-3-4-9(13(10)21-11)15-6-7-18-12(19)8-16-14(18)20/h9,15H,2-8H2,1H3,(H,16,20)/t9-/m0/s1
InChIKeyIVMXPMVPPGCTCR-VIFPVBQESA-N
MW308.41 g/mol
LogP1.22
Rot. Bonds5

About 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione

3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione (PubChem CID 124575636) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione
PubChem CID124575636
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione
SMILESCCc1nc2c(s1)[C@@H](NCCN1C(=O)CNC1=O)CCC2
InChIInChI=1S/C14H20N4O2S/c1-2-11-17-10-5-3-4-9(13(10)21-11)15-6-7-18-12(19)8-16-14(18)20/h9,15H,2-8H2,1H3,(H,16,20)/t9-/m0/s1
InChIKeyIVMXPMVPPGCTCR-VIFPVBQESA-N
XLogP1.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione (CID 124575636) is 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione is CCc1nc2c(s1)[C@@H](NCCN1C(=O)CNC1=O)CCC2.
What is the InChIKey of 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is IVMXPMVPPGCTCR-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-11-17-10-5-3-4-9(13(10)21-11)15-6-7-18-12(19)8-16-14(18)20/h9,15H,2-8H2,1H3,(H,16,20)/t9-/m0/s1.
What are the key properties of 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione?
3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 308.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124575636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).