propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C29H35N5O4S2 — CID 155115435

IUPACpropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(-c4ccc(C#N)nc4)cc3S(=O)(=O)NC(C)(C)C)s2)CC1
InChIInChI=1S/C29H35N5O4S2/c1-18(2)38-28(35)33-22-10-6-19(7-11-22)27-32-17-25(39-27)24-13-9-20(21-8-12-23(15-30)31-16-21)14-26(24)40(36,37)34-29(3,4)5/h8-9,12-14,16-19,22,34H,6-7,10-11H2,1-5H3,(H,33,35)
InChIKeyKKTPIGSDOVPEMA-UHFFFAOYSA-N
MW581.76 g/mol
LogP5.98
Rot. Bonds7

About propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 155115435) has the molecular formula C29H35N5O4S2 and a molecular weight of 581.76 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
PubChem CID155115435
Molecular FormulaC29H35N5O4S2
Molecular Weight581.76 g/mol
Exact Mass581.21
IUPAC Namepropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(-c4ccc(C#N)nc4)cc3S(=O)(=O)NC(C)(C)C)s2)CC1
InChIInChI=1S/C29H35N5O4S2/c1-18(2)38-28(35)33-22-10-6-19(7-11-22)27-32-17-25(39-27)24-13-9-20(21-8-12-23(15-30)31-16-21)14-26(24)40(36,37)34-29(3,4)5/h8-9,12-14,16-19,22,34H,6-7,10-11H2,1-5H3,(H,33,35)
InChIKeyKKTPIGSDOVPEMA-UHFFFAOYSA-N
XLogP5.98
TPSA134.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-pyridin-3-ylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115417
propan-2-yl N-[4-[5-[4-(1-benzofuran-5-yl)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115427
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115440
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(3-methyl-1H-indol-6-yl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115312
propan-2-yl N-[4-[5-[4-(2-aminoethoxy)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115533
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115451
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
N-tert-butyl-2-methyl-5-(3-methylbutoxy)benzenesulfonamide;propan-2-yl N-[4-(5-bromo-1,3-thiazol-2-yl)cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 157370403
[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-(pyridin-2-ylmethyl)carbamic acid
CID 154976441
tert-butyl 3-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]anilino]pyrazole-1-carboxylate
CID 166513638
propan-2-yl N-[4-[5-[6-(tert-butylsulfamoyl)-2-[ethylamino(hydroxy)methyl]-1H-indol-5-yl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262783
propan-2-yl N-[4-[5-[4-carbamoyl-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100692

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 155115435) is propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(-c4ccc(C#N)nc4)cc3S(=O)(=O)NC(C)(C)C)s2)CC1.
What is the InChIKey of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The InChIKey is KKTPIGSDOVPEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4S2/c1-18(2)38-28(35)33-22-10-6-19(7-11-22)27-32-17-25(39-27)24-13-9-20(21-8-12-23(15-30)31-16-21)14-26(24)40(36,37)34-29(3,4)5/h8-9,12-14,16-19,22,34H,6-7,10-11H2,1-5H3,(H,33,35).
What are the key properties of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 581.76 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 155115435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).