1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate

C24H32N4O5S — CID 66832229

IUPAC1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)Nc1cccc(NC(=O)OCc2cncs2)c1)C1CCCCC1
InChIInChI=1S/C24H32N4O5S/c1-24(2,3)33-23(31)28-20(16-8-5-4-6-9-16)21(29)26-17-10-7-11-18(12-17)27-22(30)32-14-19-13-25-15-34-19/h7,10-13,15-16,20H,4-6,8-9,14H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyWRAVCEYLFFMONK-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.30
Rot. Bonds7

About 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate

1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate (PubChem CID 66832229) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate
PubChem CID66832229
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)Nc1cccc(NC(=O)OCc2cncs2)c1)C1CCCCC1
InChIInChI=1S/C24H32N4O5S/c1-24(2,3)33-23(31)28-20(16-8-5-4-6-9-16)21(29)26-17-10-7-11-18(12-17)27-22(30)32-14-19-13-25-15-34-19/h7,10-13,15-16,20H,4-6,8-9,14H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyWRAVCEYLFFMONK-UHFFFAOYSA-N
XLogP5.30
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-3-methyl-2-(methylamino)butanoyl]-N-[3-(1,3-thiazol-5-ylmethoxycarbonylamino)phenyl]carbamate
CID 66832703
tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate
CID 66832263
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
1,3-thiazol-5-ylmethyl cyclohexanecarboxylate
CID 1488972
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
tert-butyl N-[(2S)-1-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 5272538
1,3-thiazol-5-ylmethyl N-[(2S,3R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylbutan-2-yl]carbamate
CID 140557693
tert-butyl (4S)-4-cycloheptyl-3-oxo-4-(phenylmethoxycarbonylamino)butanoate
CID 170598552
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
benzyl 2-[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxy-3-(3-hydroxyphenyl)propanoate
CID 11005740

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate (CID 66832229) is 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate is CC(C)(C)OC(=O)NC(C(=O)Nc1cccc(NC(=O)OCc2cncs2)c1)C1CCCCC1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate?
The InChIKey is WRAVCEYLFFMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-24(2,3)33-23(31)28-20(16-8-5-4-6-9-16)21(29)26-17-10-7-11-18(12-17)27-22(30)32-14-19-13-25-15-34-19/h7,10-13,15-16,20H,4-6,8-9,14H2,1-3H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate?
1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate has a molecular weight of 488.61 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[3-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]carbamate is sourced from PubChem (CID 66832229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).