tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate

C15H22N4O2S — CID 59250605

IUPACtert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=N[C@](C)(c2cncc(N)c2)CCS1
InChIInChI=1S/C15H22N4O2S/c1-14(2,3)21-13(20)18-12-19-15(4,5-6-22-12)10-7-11(16)9-17-8-10/h7-9H,5-6,16H2,1-4H3,(H,18,19,20)/t15-/m0/s1
InChIKeyNCQLBWWFAYBVOD-HNNXBMFYSA-N
MW322.43 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate

tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate (PubChem CID 59250605) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate
PubChem CID59250605
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Nametert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=N[C@](C)(c2cncc(N)c2)CCS1
InChIInChI=1S/C15H22N4O2S/c1-14(2,3)21-13(20)18-12-19-15(4,5-6-22-12)10-7-11(16)9-17-8-10/h7-9H,5-6,16H2,1-4H3,(H,18,19,20)/t15-/m0/s1
InChIKeyNCQLBWWFAYBVOD-HNNXBMFYSA-N
XLogP2.90
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate
CID 118305831
tert-butyl N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)carbamate
CID 137450252
tert-butyl N-[6-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate
CID 66689574
tert-butyl N-[3-(5-amino-3-pyridinyl)propyl]carbamate
CID 122510246
tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate
CID 66688377
N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide
CID 59250348
N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
CID 59250312
tert-butyl N-[(4aR,6R,7aS)-7a-(5-amino-2-fluorophenyl)-6-methyl-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-2-yl]carbamate
CID 67476465
tert-butyl N-[7a-(5-amino-2-fluorophenyl)-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-2-yl]carbamate
CID 76576687
tert-butyl N-[(4aR)-7a-(5-amino-2-fluorophenyl)-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-2-yl]carbamate
CID 70260502
2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 158260346
tert-butyl N-[(5S)-5-[3-(3-aminophenyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-yl]carbamate
CID 89431952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate (CID 59250605) is tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate is CC(C)(C)OC(=O)NC1=N[C@](C)(c2cncc(N)c2)CCS1.
What is the InChIKey of tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate?
The InChIKey is NCQLBWWFAYBVOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-14(2,3)21-13(20)18-12-19-15(4,5-6-22-12)10-7-11(16)9-17-8-10/h7-9H,5-6,16H2,1-4H3,(H,18,19,20)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate?
tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate has a molecular weight of 322.43 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate is sourced from PubChem (CID 59250605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).