tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate

C16H22N2O3S — CID 143422122

IUPACtert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate
SMILESCCCC(O)c1sc2cnccc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22N2O3S/c1-5-6-11(19)14-13(18-15(20)21-16(2,3)4)10-7-8-17-9-12(10)22-14/h7-9,11,19H,5-6H2,1-4H3,(H,18,20)
InChIKeyTYEAJKDLTUSLDA-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate

tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate (PubChem CID 143422122) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate
PubChem CID143422122
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Nametert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate
SMILESCCCC(O)c1sc2cnccc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22N2O3S/c1-5-6-11(19)14-13(18-15(20)21-16(2,3)4)10-7-8-17-9-12(10)22-14/h7-9,11,19H,5-6H2,1-4H3,(H,18,20)
InChIKeyTYEAJKDLTUSLDA-UHFFFAOYSA-N
XLogP4.48
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
CID 130690764
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
CID 15593546
3-hydroxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pentanoic acid
CID 175230653
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]carbamate
CID 164578067
2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide
CID 66858838
tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate
CID 143138189
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959
tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
CID 155390204
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754
tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate
CID 86706800

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate (CID 143422122) is tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate is CCCC(O)c1sc2cnccc2c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate?
The InChIKey is TYEAJKDLTUSLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-5-6-11(19)14-13(18-15(20)21-16(2,3)4)10-7-8-17-9-12(10)22-14/h7-9,11,19H,5-6H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate?
tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate has a molecular weight of 322.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 143422122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).