benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate

C19H21FN4O4S — CID 51351978

IUPACbenzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate
SMILESCN1C(N)=N[C@](C)(c2cc(NC(=O)OCc3ccccc3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H21FN4O4S/c1-19(12-29(26,27)24(2)17(21)23-19)15-10-14(8-9-16(15)20)22-18(25)28-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,25)/t19-/m0/s1
InChIKeyGXJWLJATBLCRRG-IBGZPJMESA-N
MW420.47 g/mol
LogP2.38
Rot. Bonds4

About benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate

benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate (PubChem CID 51351978) has the molecular formula C19H21FN4O4S and a molecular weight of 420.47 g/mol. Its IUPAC name is benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate
PubChem CID51351978
Molecular FormulaC19H21FN4O4S
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC Namebenzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate
SMILESCN1C(N)=N[C@](C)(c2cc(NC(=O)OCc3ccccc3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H21FN4O4S/c1-19(12-29(26,27)24(2)17(21)23-19)15-10-14(8-9-16(15)20)22-18(25)28-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,25)/t19-/m0/s1
InChIKeyGXJWLJATBLCRRG-IBGZPJMESA-N
XLogP2.38
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 88594174
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-6-methoxy-1,3-benzoxazole-2-carboxamide
CID 175311031
tert-butyl N-[(5R)-5-(2-fluoro-5-nitrophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]carbamate;(5R)-5-(2-fluoro-5-nitrophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 159609643
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-[3-[(7S)-2,7-dimethyl-5-oxo-6,8-dihydropyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]carbamate
CID 118974677
5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 175252502
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-chloro-3-ethylpyridine-2-carboxamide
CID 123632880
(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-isoquinolin-3-ylethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135126134
ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate
CID 67154749
benzyl N-[3-fluoro-4-(3-hydroxythiolan-3-yl)phenyl]carbamate
CID 140988545
1-amino-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]cyclopropane-1-carboxamide
CID 89095160
ethyl (6S)-6-[2-fluoro-5-(phenylmethoxycarbonylamino)phenyl]-6-methyl-2,4-dioxopiperidine-3-carboxylate
CID 138546340

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate?
The IUPAC name of benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate (CID 51351978) is benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate?
The canonical SMILES for benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate is CN1C(N)=N[C@](C)(c2cc(NC(=O)OCc3ccccc3)ccc2F)CS1(=O)=O.
What is the InChIKey of benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate?
The InChIKey is GXJWLJATBLCRRG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21FN4O4S/c1-19(12-29(26,27)24(2)17(21)23-19)15-10-14(8-9-16(15)20)22-18(25)28-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,25)/t19-/m0/s1.
What are the key properties of benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate?
benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate has a molecular weight of 420.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]carbamate is sourced from PubChem (CID 51351978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).