propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate

C24H32FN3O4S — CID 170362203

IUPACpropan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate
SMILESCC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N(C)C(=O)OC(C)C)cc3F)s2)CC1
InChIInChI=1S/C24H32FN3O4S/c1-14(2)31-23(29)27-17-8-6-16(7-9-17)22-26-13-21(33-22)19-11-10-18(12-20(19)25)28(5)24(30)32-15(3)4/h10-17H,6-9H2,1-5H3,(H,27,29)
InChIKeyBARPEDFKNFFEHV-UHFFFAOYSA-N
MW477.60 g/mol
LogP6.09
Rot. Bonds6

About propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate

propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate (PubChem CID 170362203) has the molecular formula C24H32FN3O4S and a molecular weight of 477.60 g/mol. Its IUPAC name is propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate
PubChem CID170362203
Molecular FormulaC24H32FN3O4S
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC Namepropan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate
SMILESCC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N(C)C(=O)OC(C)C)cc3F)s2)CC1
InChIInChI=1S/C24H32FN3O4S/c1-14(2)31-23(29)27-17-8-6-16(7-9-17)22-26-13-21(33-22)19-11-10-18(12-20(19)25)28(5)24(30)32-15(3)4/h10-17H,6-9H2,1-5H3,(H,27,29)
InChIKeyBARPEDFKNFFEHV-UHFFFAOYSA-N
XLogP6.09
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Emzadirib
CID 137542570
N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10134297
[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenyl-1,3-thiazol-2-yl)ethyl]phenyl]sulfamic acid
CID 57943168
Pnu-176798
CID 10338562
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(1-hydroxy-1-methyl-ethyl)thiazol-5-yl]phenyl]oxazolidin-2-one
CID 129071184
Thiazol-5-ylmethyl (4-((1-(2,2,2-trifluoroethyl)piperidin-4-yl)methyl)phenyl)carbamate
CID 171824695
N-({(5s)-2-Oxo-3-[4-(1,3-Thiazol-5-Yl)phenyl]-1,3-Oxazolidin-5-Yl}methyl)acetamide
CID 129900336
N-[(S)-3-(3-Fluoro-4-thiazol-5-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 476961
N-[[(5S)-3-[4-(2-acetylthiazol-5-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 476962
N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11496049
N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11510225
N-[[(5S)-3-[3-fluoro-4-[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404014

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate?
The IUPAC name of propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate (CID 170362203) is propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N(C)C(=O)OC(C)C)cc3F)s2)CC1.
What is the InChIKey of propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate?
The InChIKey is BARPEDFKNFFEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O4S/c1-14(2)31-23(29)27-17-8-6-16(7-9-17)22-26-13-21(33-22)19-11-10-18(12-20(19)25)28(5)24(30)32-15(3)4/h10-17H,6-9H2,1-5H3,(H,27,29).
What are the key properties of propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate?
propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate has a molecular weight of 477.60 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-fluoro-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 170362203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).