[2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate

C18H20N4O4S — CID 175183691

IUPAC[2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
SMILESC[C@@H]1C=C(c2cccc(-c3csc(NC(=O)COC(N)=O)n3)n2)C[C@H](C)O1
InChIInChI=1S/C18H20N4O4S/c1-10-6-12(7-11(2)26-10)13-4-3-5-14(20-13)15-9-27-18(21-15)22-16(23)8-25-17(19)24/h3-6,9-11H,7-8H2,1-2H3,(H2,19,24)(H,21,22,23)/t10-,11+/m1/s1
InChIKeyBTUHGMJFHUJMFD-MNOVXSKESA-N
MW388.45 g/mol
LogP2.82
Rot. Bonds5

About [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate

[2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate (PubChem CID 175183691) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate.

Molecular Properties

Compound Name[2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
PubChem CID175183691
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name[2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
SMILESC[C@@H]1C=C(c2cccc(-c3csc(NC(=O)COC(N)=O)n3)n2)C[C@H](C)O1
InChIInChI=1S/C18H20N4O4S/c1-10-6-12(7-11(2)26-10)13-4-3-5-14(20-13)15-9-27-18(21-15)22-16(23)8-25-17(19)24/h3-6,9-11H,7-8H2,1-2H3,(H2,19,24)(H,21,22,23)/t10-,11+/m1/s1
InChIKeyBTUHGMJFHUJMFD-MNOVXSKESA-N
XLogP2.82
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate with MolForge

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Related Compounds

N-[2-[[4-[6-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 155026564
N-[2-[[4-[6-[(2R,6S)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 155037565
[2-[[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175186749
2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 154667723
[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate
CID 175189919
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8833632
2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
2-amino-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane
CID 154666882
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-cyclopentylacetate
CID 2340359
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate?
The IUPAC name of [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate (CID 175183691) is [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate.
What is the SMILES notation for [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate?
The canonical SMILES for [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate is C[C@@H]1C=C(c2cccc(-c3csc(NC(=O)COC(N)=O)n3)n2)C[C@H](C)O1.
What is the InChIKey of [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate?
The InChIKey is BTUHGMJFHUJMFD-MNOVXSKESA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10-6-12(7-11(2)26-10)13-4-3-5-14(20-13)15-9-27-18(21-15)22-16(23)8-25-17(19)24/h3-6,9-11H,7-8H2,1-2H3,(H2,19,24)(H,21,22,23)/t10-,11+/m1/s1.
What are the key properties of [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate?
[2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate has a molecular weight of 388.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate is sourced from PubChem (CID 175183691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).