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

C24H33N3O5S — CID 170361952

IUPACpropan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
SMILESCOc1cc(NC(=O)OC(C)C)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1
InChIInChI=1S/C24H33N3O5S/c1-14(2)31-23(28)26-17-8-6-16(7-9-17)22-25-13-21(33-22)19-11-10-18(12-20(19)30-5)27-24(29)32-15(3)4/h10-17H,6-9H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyGIJMMJHCDGBXAI-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.94
Rot. Bonds7

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

propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate (PubChem CID 170361952) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
PubChem CID170361952
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Namepropan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
SMILESCOc1cc(NC(=O)OC(C)C)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1
InChIInChI=1S/C24H33N3O5S/c1-14(2)31-23(28)26-17-8-6-16(7-9-17)22-25-13-21(33-22)19-11-10-18(12-20(19)30-5)27-24(29)32-15(3)4/h10-17H,6-9H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyGIJMMJHCDGBXAI-UHFFFAOYSA-N
XLogP5.94
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 170361875
propan-2-yl N-[3-diethylphosphoryl-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 156832426
propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 167263056
[4-[5-[2-(carbamoylamino)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 170312191
propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262003
propan-2-yl N-[4-[5-[2-fluoro-4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263435
propan-2-yl N-[4-[5-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3,4-thiadiazol-2-yl]-3-propan-2-ylsulfanylphenyl]carbamate
CID 166513629
propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263311
methane;propan-2-yl N-[4-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]carbamate;propan-2-yl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate;propan-2-yl carbonochloridate
CID 158526795
propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263363
propan-2-yl N-[4-[5-[2-(cyclopropylsulfonimidoyl)-4-[(6-methoxy-3-pyridinyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 166513550
propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-2-pyridinyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262093

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate (CID 170361952) is propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate is COc1cc(NC(=O)OC(C)C)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.
What is the InChIKey of propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The InChIKey is GIJMMJHCDGBXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-14(2)31-23(28)26-17-8-6-16(7-9-17)22-25-13-21(33-22)19-11-10-18(12-20(19)30-5)27-24(29)32-15(3)4/h10-17H,6-9H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate has a molecular weight of 475.61 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate is sourced from PubChem (CID 170361952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).