N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide

C17H15N3O3S — CID 124736881

IUPACN-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C17H15N3O3S/c21-13-7-9-23-16-10(13)2-1-3-12(16)19-17(22)15-5-4-14(24-15)11-6-8-18-20-11/h1-6,8,13,21H,7,9H2,(H,18,20)(H,19,22)/t13-/m0/s1
InChIKeyPECHNMYJXSYAPV-ZDUSSCGKSA-N
MW341.39 g/mol
LogP3.21
Rot. Bonds3

About N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide

N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 124736881) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
PubChem CID124736881
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C17H15N3O3S/c21-13-7-9-23-16-10(13)2-1-3-12(16)19-17(22)15-5-4-14(24-15)11-6-8-18-20-11/h1-6,8,13,21H,7,9H2,(H,18,20)(H,19,22)/t13-/m0/s1
InChIKeyPECHNMYJXSYAPV-ZDUSSCGKSA-N
XLogP3.21
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide (CID 124736881) is N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide is O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is PECHNMYJXSYAPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-13-7-9-23-16-10(13)2-1-3-12(16)19-17(22)15-5-4-14(24-15)11-6-8-18-20-11/h1-6,8,13,21H,7,9H2,(H,18,20)(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 124736881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).