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

C15H19N3O2S — CID 123401644

IUPACtert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
SMILESCCc1sc(-c2ccncc2)nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O2S/c1-5-11-12(18-14(19)20-15(2,3)4)17-13(21-11)10-6-8-16-9-7-10/h6-9H,5H2,1-4H3,(H,18,19)
InChIKeyGRBROROSXFERQC-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.11
Rot. Bonds3

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

tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate (PubChem CID 123401644) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
PubChem CID123401644
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nametert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
SMILESCCc1sc(-c2ccncc2)nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O2S/c1-5-11-12(18-14(19)20-15(2,3)4)17-13(21-11)10-6-8-16-9-7-10/h6-9H,5H2,1-4H3,(H,18,19)
InChIKeyGRBROROSXFERQC-UHFFFAOYSA-N
XLogP4.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate
CID 70810298
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 53241957
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
CID 130690764
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
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
ethane;5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 144595105
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
CID 86767458
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carboxylate
CID 53393346
2-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
CID 58182197
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate
CID 159441655
tert-butyl N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]carbamate
CID 56585717

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate (CID 123401644) is tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate is CCc1sc(-c2ccncc2)nc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate?
The InChIKey is GRBROROSXFERQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-11-12(18-14(19)20-15(2,3)4)17-13(21-11)10-6-8-16-9-7-10/h6-9H,5H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate?
tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate has a molecular weight of 305.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 123401644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).