N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide

C27H22FN5O2S — CID 70966465

IUPACN-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide
SMILESCC1(C(=O)NC2=NC(c3ccc(F)c4ccccc34)CS2)CC2c3ccccc3C1n1c2n[nH]c1=O
InChIInChI=1S/C27H22FN5O2S/c1-27(12-19-15-7-3-5-9-18(15)22(27)33-23(19)31-32-26(33)35)24(34)30-25-29-21(13-36-25)17-10-11-20(28)16-8-4-2-6-14(16)17/h2-11,19,21-22H,12-13H2,1H3,(H,32,35)(H,29,30,34)
InChIKeyAECXFZVMTGSLOI-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.27
Rot. Bonds2

About N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide

N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide (PubChem CID 70966465) has the molecular formula C27H22FN5O2S and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide
PubChem CID70966465
Molecular FormulaC27H22FN5O2S
Molecular Weight499.57 g/mol
Exact Mass499.15
IUPAC NameN-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide
SMILESCC1(C(=O)NC2=NC(c3ccc(F)c4ccccc34)CS2)CC2c3ccccc3C1n1c2n[nH]c1=O
InChIInChI=1S/C27H22FN5O2S/c1-27(12-19-15-7-3-5-9-18(15)22(27)33-23(19)31-32-26(33)35)24(34)30-25-29-21(13-36-25)17-10-11-20(28)16-8-4-2-6-14(16)17/h2-11,19,21-22H,12-13H2,1H3,(H,32,35)(H,29,30,34)
InChIKeyAECXFZVMTGSLOI-UHFFFAOYSA-N
XLogP4.27
TPSA92.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide?
The IUPAC name of N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide (CID 70966465) is N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide.
What is the SMILES notation for N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide?
The canonical SMILES for N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide is CC1(C(=O)NC2=NC(c3ccc(F)c4ccccc34)CS2)CC2c3ccccc3C1n1c2n[nH]c1=O.
What is the InChIKey of N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide?
The InChIKey is AECXFZVMTGSLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2S/c1-27(12-19-15-7-3-5-9-18(15)22(27)33-23(19)31-32-26(33)35)24(34)30-25-29-21(13-36-25)17-10-11-20(28)16-8-4-2-6-14(16)17/h2-11,19,21-22H,12-13H2,1H3,(H,32,35)(H,29,30,34).
What are the key properties of N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide?
N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide is sourced from PubChem (CID 70966465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).