N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole

C53H52N6O3S — CID 144721746

IUPACN-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole
SMILESCCCn1c2ccc(N)cc2c2cc(C(C)=O)ccc21.CCCn1c2ccc(NC(C)=O)cc2c2cc(C(C)=O)ccc21.CCn1c2ccccc2c2cc(-c3cncs3)ccc21
InChIInChI=1S/C19H20N2O2.C17H18N2O.C17H14N2S/c1-4-9-21-18-7-5-14(12(2)22)10-16(18)17-11-15(20-13(3)23)6-8-19(17)21;1-3-8-19-16-6-4-12(11(2)20)9-14(16)15-10-13(18)5-7-17(15)19;1-2-19-15-6-4-3-5-13(15)14-9-12(7-8-16(14)19)17-10-18-11-20-17/h5-8,10-11H,4,9H2,1-3H3,(H,20,23);4-7,9-10H,3,8,18H2,1-2H3;3-11H,2H2,1H3
InChIKeyRJDOAYVDFWWPAW-UHFFFAOYSA-N
MW853.11 g/mol
LogP13.29
Rot. Bonds9

About N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole

N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole (PubChem CID 144721746) has the molecular formula C53H52N6O3S and a molecular weight of 853.11 g/mol. Its IUPAC name is N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound NameN-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole
PubChem CID144721746
Molecular FormulaC53H52N6O3S
Molecular Weight853.11 g/mol
Exact Mass852.38
IUPAC NameN-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole
SMILESCCCn1c2ccc(N)cc2c2cc(C(C)=O)ccc21.CCCn1c2ccc(NC(C)=O)cc2c2cc(C(C)=O)ccc21.CCn1c2ccccc2c2cc(-c3cncs3)ccc21
InChIInChI=1S/C19H20N2O2.C17H18N2O.C17H14N2S/c1-4-9-21-18-7-5-14(12(2)22)10-16(18)17-11-15(20-13(3)23)6-8-19(17)21;1-3-8-19-16-6-4-12(11(2)20)9-14(16)15-10-13(18)5-7-17(15)19;1-2-19-15-6-4-3-5-13(15)14-9-12(7-8-16(14)19)17-10-18-11-20-17/h5-8,10-11H,4,9H2,1-3H3,(H,20,23);4-7,9-10H,3,8,18H2,1-2H3;3-11H,2H2,1H3
InChIKeyRJDOAYVDFWWPAW-UHFFFAOYSA-N
XLogP13.29
TPSA116.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.11
LogP ≤ 513.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole?
The IUPAC name of N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole (CID 144721746) is N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole.
What is the SMILES notation for N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole?
The canonical SMILES for N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole is CCCn1c2ccc(N)cc2c2cc(C(C)=O)ccc21.CCCn1c2ccc(NC(C)=O)cc2c2cc(C(C)=O)ccc21.CCn1c2ccccc2c2cc(-c3cncs3)ccc21.
What is the InChIKey of N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole?
The InChIKey is RJDOAYVDFWWPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.C17H18N2O.C17H14N2S/c1-4-9-21-18-7-5-14(12(2)22)10-16(18)17-11-15(20-13(3)23)6-8-19(17)21;1-3-8-19-16-6-4-12(11(2)20)9-14(16)15-10-13(18)5-7-17(15)19;1-2-19-15-6-4-3-5-13(15)14-9-12(7-8-16(14)19)17-10-18-11-20-17/h5-8,10-11H,4,9H2,1-3H3,(H,20,23);4-7,9-10H,3,8,18H2,1-2H3;3-11H,2H2,1H3.
What are the key properties of N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole?
N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole has a molecular weight of 853.11 g/mol, XLogP of 13.29, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-9-propylcarbazol-3-yl)acetamide;1-(6-amino-9-propylcarbazol-3-yl)ethanone;5-(9-ethylcarbazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 144721746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).