2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine

C24H30N6S — CID 16655424

IUPAC2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine
SMILESCC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cc3)s2)cc1
InChIInChI=1S/C24H30N6S/c1-15(2)27-23(25)29-19-9-5-17(6-10-19)21-13-14-22(31-21)18-7-11-20(12-8-18)30-24(26)28-16(3)4/h5-16H,1-4H3,(H3,25,27,29)(H3,26,28,30)
InChIKeySLPFTEKVTOHYFF-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.35
Rot. Bonds6

About 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine

2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine (PubChem CID 16655424) has the molecular formula C24H30N6S and a molecular weight of 434.61 g/mol. Its IUPAC name is 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine.

Molecular Properties

Compound Name2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine
PubChem CID16655424
Molecular FormulaC24H30N6S
Molecular Weight434.61 g/mol
Exact Mass434.23
IUPAC Name2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine
SMILESCC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cc3)s2)cc1
InChIInChI=1S/C24H30N6S/c1-15(2)27-23(25)29-19-9-5-17(6-10-19)21-13-14-22(31-21)18-7-11-20(12-8-18)30-24(26)28-16(3)4/h5-16H,1-4H3,(H3,25,27,29)(H3,26,28,30)
InChIKeySLPFTEKVTOHYFF-UHFFFAOYSA-N
XLogP5.35
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine?
The IUPAC name of 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine (CID 16655424) is 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine.
What is the SMILES notation for 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine?
The canonical SMILES for 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine is CC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cc3)s2)cc1.
What is the InChIKey of 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine?
The InChIKey is SLPFTEKVTOHYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6S/c1-15(2)27-23(25)29-19-9-5-17(6-10-19)21-13-14-22(31-21)18-7-11-20(12-8-18)30-24(26)28-16(3)4/h5-16H,1-4H3,(H3,25,27,29)(H3,26,28,30).
What are the key properties of 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine?
2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine has a molecular weight of 434.61 g/mol, XLogP of 5.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine is sourced from PubChem (CID 16655424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).