tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate

C27H30N4O2S — CID 155037533

IUPACtert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(Nc1nc(-c2cccc(/C=C/c3ccncc3)c2)cs1)=C1CCC1
InChIInChI=1S/C27H30N4O2S/c1-27(2,3)33-26(32)29-17-23(21-7-5-8-21)30-25-31-24(18-34-25)22-9-4-6-20(16-22)11-10-19-12-14-28-15-13-19/h4,6,9-16,18H,5,7-8,17H2,1-3H3,(H,29,32)(H,30,31)/b11-10+
InChIKeyUGPJFTFVFRANRP-ZHACJKMWSA-N
MW474.63 g/mol
LogP6.75
Rot. Bonds7

About tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate

tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate (PubChem CID 155037533) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate
PubChem CID155037533
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC Nametert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(Nc1nc(-c2cccc(/C=C/c3ccncc3)c2)cs1)=C1CCC1
InChIInChI=1S/C27H30N4O2S/c1-27(2,3)33-26(32)29-17-23(21-7-5-8-21)30-25-31-24(18-34-25)22-9-4-6-20(16-22)11-10-19-12-14-28-15-13-19/h4,6,9-16,18H,5,7-8,17H2,1-3H3,(H,29,32)(H,30,31)/b11-10+
InChIKeyUGPJFTFVFRANRP-ZHACJKMWSA-N
XLogP6.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]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

tert-butyl N-[[1-[3-[[2-cyclobutylidene-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]carbamoyl]phenyl]cyclopropyl]methyl]carbamate
CID 166686882
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate
CID 154668014
tert-butyl N-[2-[3-[[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 166172235
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-cyclobutylideneethyl]-3-methylimidazole-4-carboxamide
CID 154668095
tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
CID 162743793
N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane
CID 154669914
tert-butyl N-[2-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 167395449
tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 154669134
tert-butyl N-[2-[[4-[3-[(2R)-2-methylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 154667971
(E)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-phenylprop-2-enamide;hydrochloride
CID 163326029

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate (CID 155037533) is tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(Nc1nc(-c2cccc(/C=C/c3ccncc3)c2)cs1)=C1CCC1.
What is the InChIKey of tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate?
The InChIKey is UGPJFTFVFRANRP-ZHACJKMWSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-27(2,3)33-26(32)29-17-23(21-7-5-8-21)30-25-31-24(18-34-25)22-9-4-6-20(16-22)11-10-19-12-14-28-15-13-19/h4,6,9-16,18H,5,7-8,17H2,1-3H3,(H,29,32)(H,30,31)/b11-10+.
What are the key properties of tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate?
tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate has a molecular weight of 474.63 g/mol, XLogP of 6.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate is sourced from PubChem (CID 155037533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).