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

C25H34N4O5S — CID 170361875

IUPACpropan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)C)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1
InChIInChI=1S/C25H34N4O5S/c1-14(2)33-24(31)28-18-8-6-17(7-9-18)23-26-13-22(35-23)20-11-10-19(12-21(20)27-16(5)30)29-25(32)34-15(3)4/h10-15,17-18H,6-9H2,1-5H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyJNRQFDILTRALHK-UHFFFAOYSA-N
MW502.64 g/mol
LogP5.89
Rot. Bonds7

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

propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate (PubChem CID 170361875) has the molecular formula C25H34N4O5S and a molecular weight of 502.64 g/mol. Its IUPAC name is propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
PubChem CID170361875
Molecular FormulaC25H34N4O5S
Molecular Weight502.64 g/mol
Exact Mass502.22
IUPAC Namepropan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)C)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1
InChIInChI=1S/C25H34N4O5S/c1-14(2)33-24(31)28-18-8-6-17(7-9-18)23-26-13-22(35-23)20-11-10-19(12-21(20)27-16(5)30)29-25(32)34-15(3)4/h10-15,17-18H,6-9H2,1-5H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyJNRQFDILTRALHK-UHFFFAOYSA-N
XLogP5.89
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-[2-(carbamoylamino)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 170312191
propan-2-yl N-[3-methoxy-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 170361952
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
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-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263311
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-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3,4-thiadiazol-2-yl]-3-propan-2-ylsulfanylphenyl]carbamate
CID 166513629
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-cyclopropylsulfonyl-4-[(5-methyl-2-pyridinyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262093
propan-2-yl N-[4-[5-[4-[(5-cyclopropyl-2-pyridinyl)amino]-2-cyclopropylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169228284

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate (CID 170361875) is propan-2-yl N-[3-acetamido-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-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate is CC(=O)Nc1cc(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-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The InChIKey is JNRQFDILTRALHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5S/c1-14(2)33-24(31)28-18-8-6-17(7-9-18)23-26-13-22(35-23)20-11-10-19(12-21(20)27-16(5)30)29-25(32)34-15(3)4/h10-15,17-18H,6-9H2,1-5H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate has a molecular weight of 502.64 g/mol, XLogP of 5.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate is sourced from PubChem (CID 170361875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).