4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C30H28FN7O3S — CID 141366182

About 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 141366182) has the molecular formula C30H28FN7O3S and a molecular weight of 585.67 g/mol. Its IUPAC name is 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
• PubChem CID: 141366182
• Molecular Formula: C30H28FN7O3S
• Molecular Weight: 585.67 g/mol
• Exact Mass: 585.20
• IUPAC Name: 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
• SMILES: Cc1csc(NC(=O)Nc2ccc(F)c(-c3ccc(C(N)=O)c4[nH]c5cc(C(=O)N6CCN(C)CC6)ccc5c34)c2)n1
• InChI: InChI=1S/C30H28FN7O3S/c1-16-15-42-30(33-16)36-29(41)34-18-4-8-23(31)22(14-18)19-6-7-21(27(32)39)26-25(19)20-5-3-17(13-24(20)35-26)28(40)38-11-9-37(2)10-12-38/h3-8,13-15,35H,9-12H2,1-2H3,(H2,32,39)(H2,33,34,36,41)
• InChIKey: KTGRAOCOLFRJMH-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 136.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.67
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?

The IUPAC name of 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 141366182) is 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

What is the SMILES notation for 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?

The canonical SMILES for 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is Cc1csc(NC(=O)Nc2ccc(F)c(-c3ccc(C(N)=O)c4[nH]c5cc(C(=O)N6CCN(C)CC6)ccc5c34)c2)n1.

What is the InChIKey of 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?

The InChIKey is KTGRAOCOLFRJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7O3S/c1-16-15-42-30(33-16)36-29(41)34-18-4-8-23(31)22(14-18)19-6-7-21(27(32)39)26-25(19)20-5-3-17(13-24(20)35-26)28(40)38-11-9-37(2)10-12-38/h3-8,13-15,35H,9-12H2,1-2H3,(H2,32,39)(H2,33,34,36,41).

What are the key properties of 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?

4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 585.67 g/mol, XLogP of 5.02, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141366182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).