N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

C18H20F2N6O4S2 — CID 126714984

IUPACN-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-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)[C@H](C2CC2)S1(=O)=O
InChIInChI=1S/C18H20F2N6O4S2/c1-18(13(9-3-4-9)32(28,29)26(2)17(21)25-18)15-24-12(8-31-15)23-14(27)11-6-5-10(7-22-11)30-16(19)20/h5-9,13,16H,3-4H2,1-2H3,(H2,21,25)(H,23,27)/t13-,18-/m0/s1
InChIKeyHSNBCIVICCGUHZ-UGSOOPFHSA-N
MW486.53 g/mol
LogP1.98
Rot. Bonds6

About N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 126714984) has the molecular formula C18H20F2N6O4S2 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
PubChem CID126714984
Molecular FormulaC18H20F2N6O4S2
Molecular Weight486.53 g/mol
Exact Mass486.10
IUPAC NameN-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-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)[C@H](C2CC2)S1(=O)=O
InChIInChI=1S/C18H20F2N6O4S2/c1-18(13(9-3-4-9)32(28,29)26(2)17(21)25-18)15-24-12(8-31-15)23-14(27)11-6-5-10(7-22-11)30-16(19)20/h5-9,13,16H,3-4H2,1-2H3,(H2,21,25)(H,23,27)/t13-,18-/m0/s1
InChIKeyHSNBCIVICCGUHZ-UGSOOPFHSA-N
XLogP1.98
TPSA139.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 126714984) is N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-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)[C@H](C2CC2)S1(=O)=O.
What is the InChIKey of N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The InChIKey is HSNBCIVICCGUHZ-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H20F2N6O4S2/c1-18(13(9-3-4-9)32(28,29)26(2)17(21)25-18)15-24-12(8-31-15)23-14(27)11-6-5-10(7-22-11)30-16(19)20/h5-9,13,16H,3-4H2,1-2H3,(H2,21,25)(H,23,27)/t13-,18-/m0/s1.
What are the key properties of N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 126714984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).