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

C22H18N4O4S2 — CID 121464916

IUPAC1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)c1ccccc1
InChIInChI=1S/C22H18N4O4S2/c1-2-16(13-6-4-3-5-7-13)30-22(29)26-18(27)14-9-11-31-20(14)25-19(28)21-24-15-12-23-10-8-17(15)32-21/h3-12,16H,2H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyQUBDRWHJDXCDSC-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.02
Rot. Bonds6

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

1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121464916) has the molecular formula C22H18N4O4S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Name1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121464916
Molecular FormulaC22H18N4O4S2
Molecular Weight466.54 g/mol
Exact Mass466.08
IUPAC Name1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)c1ccccc1
InChIInChI=1S/C22H18N4O4S2/c1-2-16(13-6-4-3-5-7-13)30-22(29)26-18(27)14-9-11-31-20(14)25-19(28)21-24-15-12-23-10-8-17(15)32-21/h3-12,16H,2H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyQUBDRWHJDXCDSC-UHFFFAOYSA-N
XLogP5.02
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate with MolForge

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Related Compounds

Ethyl {2-[([1,3]thiazolo[4,5-C]pyridine-2-Carbonyl)amino]thiophene-3-Carbonyl}carbamate
CID 86582124
Methyl 6-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 45489106
ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 117718343
ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121465035
Methyl 2-(2-(pyrazin-2-yl)thiazole-4-carboxamido)benzoate
CID 49676460
propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 117718325
propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464861
(4-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464891
(4-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464892
(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464903
(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464904
3,3,3-trifluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464925

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121464916) is 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)c1ccccc1.
What is the InChIKey of 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is QUBDRWHJDXCDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S2/c1-2-16(13-6-4-3-5-7-13)30-22(29)26-18(27)14-9-11-31-20(14)25-19(28)21-24-15-12-23-10-8-17(15)32-21/h3-12,16H,2H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 466.54 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).