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

C23H31N3O2S2 — CID 167263056

IUPACpropan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
SMILESCNC1CCC(c2ncc(-c3ccc(NC(=O)OC(C)C)cc3SC3CC3)s2)CC1
InChIInChI=1S/C23H31N3O2S2/c1-14(2)28-23(27)26-17-8-11-19(20(12-17)29-18-9-10-18)21-13-25-22(30-21)15-4-6-16(24-3)7-5-15/h8,11-16,18,24H,4-7,9-10H2,1-3H3,(H,26,27)
InChIKeyTZJJYMIXCRHCKM-UHFFFAOYSA-N
MW445.65 g/mol
LogP6.27
Rot. Bonds7

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

propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate (PubChem CID 167263056) has the molecular formula C23H31N3O2S2 and a molecular weight of 445.65 g/mol. Its IUPAC name is propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
PubChem CID167263056
Molecular FormulaC23H31N3O2S2
Molecular Weight445.65 g/mol
Exact Mass445.19
IUPAC Namepropan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
SMILESCNC1CCC(c2ncc(-c3ccc(NC(=O)OC(C)C)cc3SC3CC3)s2)CC1
InChIInChI=1S/C23H31N3O2S2/c1-14(2)28-23(27)26-17-8-11-19(20(12-17)29-18-9-10-18)21-13-25-22(30-21)15-4-6-16(24-3)7-5-15/h8,11-16,18,24H,4-7,9-10H2,1-3H3,(H,26,27)
InChIKeyTZJJYMIXCRHCKM-UHFFFAOYSA-N
XLogP6.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-acetamido-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 170361875
[4-[5-[2-(carbamoylamino)-4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 170312191
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-[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
tert-butyl 4-[2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-(propan-2-yloxycarbonylamino)phenyl]piperazine-1-carboxylate;propan-2-yl carbamate
CID 169263449
propan-2-yl carbamate;propan-2-yl N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-(piperidin-1-ylmethyl)phenyl]carbamate
CID 169263334
propan-2-yl N-[3-(tert-butylsulfamoyl)-4-[2-[4-[[(2S)-1-methylpyrrolidin-2-yl]methylcarbamoylamino]cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 138741225

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate (CID 167263056) is propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate is CNC1CCC(c2ncc(-c3ccc(NC(=O)OC(C)C)cc3SC3CC3)s2)CC1.
What is the InChIKey of propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The InChIKey is TZJJYMIXCRHCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S2/c1-14(2)28-23(27)26-17-8-11-19(20(12-17)29-18-9-10-18)21-13-25-22(30-21)15-4-6-16(24-3)7-5-15/h8,11-16,18,24H,4-7,9-10H2,1-3H3,(H,26,27).
What are the key properties of propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate?
propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate has a molecular weight of 445.65 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate is sourced from PubChem (CID 167263056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).