tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate

C21H31N3O3S — CID 140958439

IUPACtert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate
SMILESCc1sc(-c2ccncc2)nc1OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H31N3O3S/c1-14(2)12-21(7,24-19(25)27-20(4,5)6)13-26-17-15(3)28-18(23-17)16-8-10-22-11-9-16/h8-11,14H,12-13H2,1-7H3,(H,24,25)/t21-/m0/s1
InChIKeyQAFZFEZZPWPIPC-NRFANRHFSA-N
MW405.56 g/mol
LogP5.22
Rot. Bonds7

About tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate

tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate (PubChem CID 140958439) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate
PubChem CID140958439
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC Nametert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate
SMILESCc1sc(-c2ccncc2)nc1OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H31N3O3S/c1-14(2)12-21(7,24-19(25)27-20(4,5)6)13-26-17-15(3)28-18(23-17)16-8-10-22-11-9-16/h8-11,14H,12-13H2,1-7H3,(H,24,25)/t21-/m0/s1
InChIKeyQAFZFEZZPWPIPC-NRFANRHFSA-N
XLogP5.22
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 123323558
tert-butyl N-[1-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 146320127
tert-butyl N-[2,4-dimethyl-1-[4-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamate
CID 146320176
tert-butyl N-[1-(4-bromo-2-methylphenoxy)-2,4-dimethylpentan-2-yl]carbamate
CID 135390391
[4-[4-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-3-(hydroxymethyl)phenyl]-2-pyridinyl]carbamic acid
CID 118420271
tert-butyl N-[2,4-dimethyl-1-[[7-(2-methylpyrimidin-4-yl)-1,3-benzothiazol-4-yl]oxy]pentan-2-yl]carbamate
CID 138506522
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
CID 153040099
tert-butyl N-[(2S)-2,4-dimethyl-1-[4-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamate
CID 140958442
tert-butyl N-[2,4-dimethyl-1-[4-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamate
CID 137472106
tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 123401644
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
CID 130690764
tert-butyl N-[1-[4-(6-acetamidopyrimidin-4-yl)-2-methylphenoxy]-2,4-dimethylpentan-2-yl]carbamate
CID 135390663

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate (CID 140958439) is tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate is Cc1sc(-c2ccncc2)nc1OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate?
The InChIKey is QAFZFEZZPWPIPC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H31N3O3S/c1-14(2)12-21(7,24-19(25)27-20(4,5)6)13-26-17-15(3)28-18(23-17)16-8-10-22-11-9-16/h8-11,14H,12-13H2,1-7H3,(H,24,25)/t21-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate?
tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate has a molecular weight of 405.56 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2,4-dimethyl-1-[(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)oxy]pentan-2-yl]carbamate is sourced from PubChem (CID 140958439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).