[(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate

C23H27N3O3S — CID 66832418

IUPAC[(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate
SMILESNC(=O)O[C@@H](Cc1ccccc1)[C@H](O)C[C@H](N)C(Cc1cncs1)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c24-20(19(12-18-14-26-15-30-18)17-9-5-2-6-10-17)13-21(27)22(29-23(25)28)11-16-7-3-1-4-8-16/h1-10,14-15,19-22,27H,11-13,24H2,(H2,25,28)/t19?,20-,21+,22-/m0/s1
InChIKeyONYOBXSCZQGYSN-KBRMVUAJSA-N
MW425.55 g/mol
LogP3.25
Rot. Bonds10

About [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate

[(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate (PubChem CID 66832418) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate
PubChem CID66832418
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name[(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate
SMILESNC(=O)O[C@@H](Cc1ccccc1)[C@H](O)C[C@H](N)C(Cc1cncs1)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c24-20(19(12-18-14-26-15-30-18)17-9-5-2-6-10-17)13-21(27)22(29-23(25)28)11-16-7-3-1-4-8-16/h1-10,14-15,19-22,27H,11-13,24H2,(H2,25,28)/t19?,20-,21+,22-/m0/s1
InChIKeyONYOBXSCZQGYSN-KBRMVUAJSA-N
XLogP3.25
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,4S,5S,6R)-5-carbamoyloxy-4-hydroxy-7,7-dimethyl-1,6-diphenyl-6-(1,3-thiazol-5-ylmethyl)octan-2-yl] carbamate
CID 99939473
1,3-thiazol-5-ylmethyl N-[5-amino-4-hydroxy-6-phenyl-1-(1,3-thiazol-5-yl)hexan-2-yl]carbamate
CID 18758976
N-[(2S,4S,5S)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl]carbamate
CID 91669528
[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
CID 69257317
1,3-thiazol-5-ylmethyl N-[3-hydroxy-1-phenyl-4-(phenylmethoxycarbonylamino)butan-2-yl]carbamate
CID 68973508
[(2S,3R)-3-hydroxy-1-phenyl-4-(1,3-thiazol-5-ylmethylamino)butan-2-yl]carbamic acid
CID 70146045
[(2S,4S,5S)-4-hydroxy-7,7-dimethyl-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)octan-2-yl]carbamic acid
CID 66832477
1,3-thiazol-5-ylmethyl N-[(2R,3R,5R)-5-acetamido-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 124562642
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713
benzyl N-[4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-1-(1,3-thiazol-5-yl)hexan-2-yl]carbamate
CID 18758936
benzyl N-[(2S,4S)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-1-(1,3-thiazol-5-yl)hexan-2-yl]carbamate
CID 67764798
1,3-thiazol-5-ylmethyl N-[3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]carbamate
CID 25096501

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate?
The IUPAC name of [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate (CID 66832418) is [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate.
What is the SMILES notation for [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate?
The canonical SMILES for [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate is NC(=O)O[C@@H](Cc1ccccc1)[C@H](O)C[C@H](N)C(Cc1cncs1)c1ccccc1.
What is the InChIKey of [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate?
The InChIKey is ONYOBXSCZQGYSN-KBRMVUAJSA-N. The full InChI is InChI=1S/C23H27N3O3S/c24-20(19(12-18-14-26-15-30-18)17-9-5-2-6-10-17)13-21(27)22(29-23(25)28)11-16-7-3-1-4-8-16/h1-10,14-15,19-22,27H,11-13,24H2,(H2,25,28)/t19?,20-,21+,22-/m0/s1.
What are the key properties of [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate?
[(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate has a molecular weight of 425.55 g/mol, XLogP of 3.25, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5S)-5-amino-3-hydroxy-1,6-diphenyl-7-(1,3-thiazol-5-yl)heptan-2-yl] carbamate is sourced from PubChem (CID 66832418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).