tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate

C16H21N3O2S — CID 59580635

IUPACtert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H21N3O2S/c1-6-19(15(20)21-16(3,4)5)14-11(2)18-13(22-14)12-8-7-9-17-10-12/h7-10H,6H2,1-5H3
InChIKeyUMMIMSSRVMWJNB-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate

tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate (PubChem CID 59580635) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
PubChem CID59580635
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Nametert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H21N3O2S/c1-6-19(15(20)21-16(3,4)5)14-11(2)18-13(22-14)12-8-7-9-17-10-12/h7-10H,6H2,1-5H3
InChIKeyUMMIMSSRVMWJNB-UHFFFAOYSA-N
XLogP4.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate
CID 59580716
tert-butyl N-[(E)-but-2-enyl]-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580814
tert-butyl N-(4-ethynyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate
CID 118978056
S-tert-butyl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamothioate
CID 118978080
tert-butyl N-prop-2-ynyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 153321701
N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 70833297
N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 59580620
tert-butyl N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;methane;[methyl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 159438782
tert-butyl N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 59580687
tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate
CID 150876946
N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 59580833
ethyl 5-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-iodophenyl)-1,3-thiazole-4-carboxylate
CID 122522213

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate (CID 59580635) is tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate is CCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The InChIKey is UMMIMSSRVMWJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-6-19(15(20)21-16(3,4)5)14-11(2)18-13(22-14)12-8-7-9-17-10-12/h7-10H,6H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate has a molecular weight of 319.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 59580635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).