propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C16H16N4O4S2 — CID 121467112

IUPACpropan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1ccsc1NC(=O)C1Nc2cnccc2S1
InChIInChI=1S/C16H16N4O4S2/c1-8(2)24-16(23)20-12(21)9-4-6-25-14(9)19-13(22)15-18-10-7-17-5-3-11(10)26-15/h3-8,15,18H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyZJFHZHZMMGHOER-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.90
Rot. Bonds4

About propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121467112) has the molecular formula C16H16N4O4S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121467112
Molecular FormulaC16H16N4O4S2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC Namepropan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1ccsc1NC(=O)C1Nc2cnccc2S1
InChIInChI=1S/C16H16N4O4S2/c1-8(2)24-16(23)20-12(21)9-4-6-25-14(9)19-13(22)15-18-10-7-17-5-3-11(10)26-15/h3-8,15,18H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyZJFHZHZMMGHOER-UHFFFAOYSA-N
XLogP2.90
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121467112) is propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)C1Nc2cnccc2S1.
What is the InChIKey of propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is ZJFHZHZMMGHOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S2/c1-8(2)24-16(23)20-12(21)9-4-6-25-14(9)19-13(22)15-18-10-7-17-5-3-11(10)26-15/h3-8,15,18H,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121467112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).