tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate

C15H24N4O3S — CID 58822056

IUPACtert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate
SMILESCN1CCc2nc(C(=O)NCCNC(=O)OC(C)(C)C)sc2C1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)17-7-6-16-12(20)13-18-10-5-8-19(4)9-11(10)23-13/h5-9H2,1-4H3,(H,16,20)(H,17,21)
InChIKeySRLMEUWUZQNIKR-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.39
Rot. Bonds4

About tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate (PubChem CID 58822056) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate
PubChem CID58822056
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Nametert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate
SMILESCN1CCc2nc(C(=O)NCCNC(=O)OC(C)(C)C)sc2C1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)17-7-6-16-12(20)13-18-10-5-8-19(4)9-11(10)23-13/h5-9H2,1-4H3,(H,16,20)(H,17,21)
InChIKeySRLMEUWUZQNIKR-UHFFFAOYSA-N
XLogP1.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate (CID 58822056) is tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate is CN1CCc2nc(C(=O)NCCNC(=O)OC(C)(C)C)sc2C1.
What is the InChIKey of tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate?
The InChIKey is SRLMEUWUZQNIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)17-7-6-16-12(20)13-18-10-5-8-19(4)9-11(10)23-13/h5-9H2,1-4H3,(H,16,20)(H,17,21).
What are the key properties of tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 58822056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).