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

C15H18F2N6O4S2 — CID 126714978

IUPACN-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-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)CS1(O)O
InChIInChI=1S/C15H18F2N6O4S2/c1-15(7-29(25,26)23(2)14(18)22-15)12-21-10(6-28-12)20-11(24)9-4-3-8(5-19-9)27-13(16)17/h3-6,13,25-26H,7H2,1-2H3,(H2,18,22)(H,20,24)/t15-/m0/s1
InChIKeyCSUNTPSSHWTLED-HNNXBMFYSA-N
MW448.48 g/mol
LogP2.53
Rot. Bonds5

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

N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 126714978) has the molecular formula C15H18F2N6O4S2 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
PubChem CID126714978
Molecular FormulaC15H18F2N6O4S2
Molecular Weight448.48 g/mol
Exact Mass448.08
IUPAC NameN-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-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)CS1(O)O
InChIInChI=1S/C15H18F2N6O4S2/c1-15(7-29(25,26)23(2)14(18)22-15)12-21-10(6-28-12)20-11(24)9-4-3-8(5-19-9)27-13(16)17/h3-6,13,25-26H,7H2,1-2H3,(H2,18,22)(H,20,24)/t15-/m0/s1
InChIKeyCSUNTPSSHWTLED-HNNXBMFYSA-N
XLogP2.53
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 126714978) is N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-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)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-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)CS1(O)O.
What is the InChIKey of N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The InChIKey is CSUNTPSSHWTLED-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18F2N6O4S2/c1-15(7-29(25,26)23(2)14(18)22-15)12-21-10(6-28-12)20-11(24)9-4-3-8(5-19-9)27-13(16)17/h3-6,13,25-26H,7H2,1-2H3,(H2,18,22)(H,20,24)/t15-/m0/s1.
What are the key properties of N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5S)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 126714978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).