tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate

C13H14FN3O3S — CID 169101294

IUPACtert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)c1cc2c(F)cncc2s1
InChIInChI=1S/C13H14FN3O3S/c1-13(2,3)20-12(19)17-16-11(18)9-4-7-8(14)5-15-6-10(7)21-9/h4-6H,1-3H3,(H,16,18)(H,17,19)
InChIKeyUXCGDTUIMPMASD-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.60
Rot. Bonds1

About tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate

tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate (PubChem CID 169101294) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate
PubChem CID169101294
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Nametert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)c1cc2c(F)cncc2s1
InChIInChI=1S/C13H14FN3O3S/c1-13(2,3)20-12(19)17-16-11(18)9-4-7-8(14)5-15-6-10(7)21-9/h4-6H,1-3H3,(H,16,18)(H,17,19)
InChIKeyUXCGDTUIMPMASD-UHFFFAOYSA-N
XLogP2.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-bromothieno[2,3-c]pyridine-2-carboxylate
CID 166604363
N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide
CID 59117118
tert-butyl N-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamate
CID 71944256
4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 139916052
tert-butyl N-[(4-chloro-2-fluorobenzoyl)amino]carbamate
CID 26043246
tert-butyl N-[[3-(trifluoromethyl)pyridine-4-carbonyl]amino]carbamate
CID 175174344
tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate
CID 141024155
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
CID 16654125
tert-butyl N-[(2-methyl-2,3-dihydrothiophene-5-carbonyl)amino]carbamate
CID 167190514
tert-butyl N-[(4-cyano-2-fluorobenzoyl)amino]carbamate
CID 171840016
tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate
CID 143138189

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate (CID 169101294) is tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate is CC(C)(C)OC(=O)NNC(=O)c1cc2c(F)cncc2s1.
What is the InChIKey of tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate?
The InChIKey is UXCGDTUIMPMASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-13(2,3)20-12(19)17-16-11(18)9-4-7-8(14)5-15-6-10(7)21-9/h4-6H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate?
tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate has a molecular weight of 311.34 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate is sourced from PubChem (CID 169101294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).