4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine

C23H23N5S2 — CID 132519535

IUPAC4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine
SMILESCCCCCn1c2ccc(-c3csc(N)n3)cc2c2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C23H23N5S2/c1-2-3-4-9-28-20-7-5-14(18-12-29-22(24)26-18)10-16(20)17-11-15(6-8-21(17)28)19-13-30-23(25)27-19/h5-8,10-13H,2-4,9H2,1H3,(H2,24,26)(H2,25,27)
InChIKeyHITLBPSURJLQGM-UHFFFAOYSA-N
MW433.61 g/mol
LogP6.40
Rot. Bonds6

About 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine

4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 132519535) has the molecular formula C23H23N5S2 and a molecular weight of 433.61 g/mol. Its IUPAC name is 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine
PubChem CID132519535
Molecular FormulaC23H23N5S2
Molecular Weight433.61 g/mol
Exact Mass433.14
IUPAC Name4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine
SMILESCCCCCn1c2ccc(-c3csc(N)n3)cc2c2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C23H23N5S2/c1-2-3-4-9-28-20-7-5-14(18-12-29-22(24)26-18)10-16(20)17-11-15(6-8-21(17)28)19-13-30-23(25)27-19/h5-8,10-13H,2-4,9H2,1H3,(H2,24,26)(H2,25,27)
InChIKeyHITLBPSURJLQGM-UHFFFAOYSA-N
XLogP6.40
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.61
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine (CID 132519535) is 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine is CCCCCn1c2ccc(-c3csc(N)n3)cc2c2cc(-c3csc(N)n3)ccc21.
What is the InChIKey of 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is HITLBPSURJLQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S2/c1-2-3-4-9-28-20-7-5-14(18-12-29-22(24)26-18)10-16(20)17-11-15(6-8-21(17)28)19-13-30-23(25)27-19/h5-8,10-13H,2-4,9H2,1H3,(H2,24,26)(H2,25,27).
What are the key properties of 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine?
4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 433.61 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 132519535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).