3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide

C23H21N3O3S — CID 152964048

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
SMILESCc1nc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCOCC4)cc2C3)cs1
InChIInChI=1S/C23H21N3O3S/c1-13-25-21(12-30-13)16-10-18-17-3-2-14(23(28)26-4-6-29-7-5-26)8-15(17)9-19(18)20(11-16)22(24)27/h2-3,8,10-12H,4-7,9H2,1H3,(H2,24,27)
InChIKeyURDUNHYFWKRBEI-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.26
Rot. Bonds3

About 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide

3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide (PubChem CID 152964048) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
PubChem CID152964048
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
SMILESCc1nc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCOCC4)cc2C3)cs1
InChIInChI=1S/C23H21N3O3S/c1-13-25-21(12-30-13)16-10-18-17-3-2-14(23(28)26-4-6-29-7-5-26)8-15(17)9-19(18)20(11-16)22(24)27/h2-3,8,10-12H,4-7,9H2,1H3,(H2,24,27)
InChIKeyURDUNHYFWKRBEI-UHFFFAOYSA-N
XLogP3.26
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide (CID 152964048) is 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide is Cc1nc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCOCC4)cc2C3)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The InChIKey is URDUNHYFWKRBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-13-25-21(12-30-13)16-10-18-17-3-2-14(23(28)26-4-6-29-7-5-26)8-15(17)9-19(18)20(11-16)22(24)27/h2-3,8,10-12H,4-7,9H2,1H3,(H2,24,27).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 152964048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).