N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

C17H18F2N6O4S2 — CID 126714999

IUPACN-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)C2(CC2)S1(=O)=O
InChIInChI=1S/C17H18F2N6O4S2/c1-16(17(5-6-17)31(27,28)25(2)15(20)24-16)13-23-11(8-30-13)22-12(26)10-4-3-9(7-21-10)29-14(18)19/h3-4,7-8,14H,5-6H2,1-2H3,(H2,20,24)(H,22,26)/t16-/m1/s1
InChIKeyVAGSWIHKZHNXQX-MRXNPFEDSA-N
MW472.50 g/mol
LogP1.73
Rot. Bonds5

About N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 126714999) has the molecular formula C17H18F2N6O4S2 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
PubChem CID126714999
Molecular FormulaC17H18F2N6O4S2
Molecular Weight472.50 g/mol
Exact Mass472.08
IUPAC NameN-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)C2(CC2)S1(=O)=O
InChIInChI=1S/C17H18F2N6O4S2/c1-16(17(5-6-17)31(27,28)25(2)15(20)24-16)13-23-11(8-30-13)22-12(26)10-4-3-9(7-21-10)29-14(18)19/h3-4,7-8,14H,5-6H2,1-2H3,(H2,20,24)(H,22,26)/t16-/m1/s1
InChIKeyVAGSWIHKZHNXQX-MRXNPFEDSA-N
XLogP1.73
TPSA139.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 126714999) is N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)C2(CC2)S1(=O)=O.
What is the InChIKey of N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The InChIKey is VAGSWIHKZHNXQX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18F2N6O4S2/c1-16(17(5-6-17)31(27,28)25(2)15(20)24-16)13-23-11(8-30-13)22-12(26)10-4-3-9(7-21-10)29-14(18)19/h3-4,7-8,14H,5-6H2,1-2H3,(H2,20,24)(H,22,26)/t16-/m1/s1.
What are the key properties of N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8S)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 126714999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).