tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate

C16H28N2O2S — CID 143961871

IUPACtert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate
SMILESCc1csc(CCC(C(C)C)N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H28N2O2S/c1-11(2)13(8-9-14-17-12(3)10-21-14)18(7)15(19)20-16(4,5)6/h10-11,13H,8-9H2,1-7H3
InChIKeyVQKXODUOLUOTBY-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.28
Rot. Bonds5

About tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate

tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate (PubChem CID 143961871) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate
PubChem CID143961871
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Nametert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate
SMILESCc1csc(CCC(C(C)C)N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H28N2O2S/c1-11(2)13(8-9-14-17-12(3)10-21-14)18(7)15(19)20-16(4,5)6/h10-11,13H,8-9H2,1-7H3
InChIKeyVQKXODUOLUOTBY-UHFFFAOYSA-N
XLogP4.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 53606147
tert-butyl (2R)-4,4-difluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 69789646
tert-butyl (2R)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 69789883
Tert-butyl 4,4-difluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 77717432
Tert-butyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 77717496
Tert-butyl 4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 123360989
tert-butyl (1R,4R,6R)-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 123855096
Tert-butyl 2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxylate
CID 144410162
Tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 162412080
Tert-butyl 4-[4-(difluoromethyl)thiazol-2-yl]piperidine-1-carboxylate
CID 129482060
tert-butyl N-{[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl}-N-methylcarbamate
CID 165931524
Tert-butyl 3-(4-methylthiazol-2-yl)pyrrolidine-1-carboxylate
CID 23532020

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate (CID 143961871) is tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate is Cc1csc(CCC(C(C)C)N(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate?
The InChIKey is VQKXODUOLUOTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-11(2)13(8-9-14-17-12(3)10-21-14)18(7)15(19)20-16(4,5)6/h10-11,13H,8-9H2,1-7H3.
What are the key properties of tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate?
tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate has a molecular weight of 312.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate is sourced from PubChem (CID 143961871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).