N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H17N3O2S — CID 112803625

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cn1)C1COc2ccccc2C1
InChIInChI=1S/C22H17N3O2S/c26-21(16-11-14-5-1-3-7-18(14)27-13-16)25-20-10-9-15(12-23-20)22-24-17-6-2-4-8-19(17)28-22/h1-10,12,16H,11,13H2,(H,23,25,26)
InChIKeyKFGXXDSMGNIRPF-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.55
Rot. Bonds3

About N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 112803625) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID112803625
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cn1)C1COc2ccccc2C1
InChIInChI=1S/C22H17N3O2S/c26-21(16-11-14-5-1-3-7-18(14)27-13-16)25-20-10-9-15(12-23-20)22-24-17-6-2-4-8-19(17)28-22/h1-10,12,16H,11,13H2,(H,23,25,26)
InChIKeyKFGXXDSMGNIRPF-UHFFFAOYSA-N
XLogP4.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 112803625) is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)C1COc2ccccc2C1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KFGXXDSMGNIRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-21(16-11-14-5-1-3-7-18(14)27-13-16)25-20-10-9-15(12-23-20)22-24-17-6-2-4-8-19(17)28-22/h1-10,12,16H,11,13H2,(H,23,25,26).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 112803625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).