tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate

C14H16N4O3S — CID 11809364

IUPACtert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyQBMYJIFXSXKPFS-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate

tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate (PubChem CID 11809364) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate
PubChem CID11809364
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Nametert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyQBMYJIFXSXKPFS-UHFFFAOYSA-N
XLogP3.14
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-((2,2-Dimethylpropanoyl)amino)-N-1,3-thiazol-2-ylpyridine-2-carboxamide
CID 11120251
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
Pyridine-2-carboxylic acid thiazol-2-ylamide
CID 1070711
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
2-Pyridinecarboxamide, 3-(formylamino)-N-2-thiazolyl-
CID 10037639
3-(2-Fluoro-benzoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10065954
3-(3-Fluoro-benzoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10860803
3-(4-Methyl-pent-3-enoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10881619
3-(5-Methyl-hex-4-enoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10882088
3-(2-Methyl-but-2-enoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10968652
3-(3-Methyl-but-3-enoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10979567
3-(2,2,2-Trifluoro-acetylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11012528

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate (CID 11809364) is tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate?
The InChIKey is QBMYJIFXSXKPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate?
tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate has a molecular weight of 320.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 11809364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).