N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine

C20H19FN4S — CID 11574171

IUPACN,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cs1
InChIInChI=1S/C20H19FN4S/c1-3-25(4-2)20-24-18(12-26-20)17-11-23-19-16(17)9-14(10-22-19)13-5-7-15(21)8-6-13/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyLSKKGCZFNFGJOR-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.34
Rot. Bonds5

About N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine

N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine (PubChem CID 11574171) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine
PubChem CID11574171
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC NameN,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cs1
InChIInChI=1S/C20H19FN4S/c1-3-25(4-2)20-24-18(12-26-20)17-11-23-19-16(17)9-14(10-22-19)13-5-7-15(21)8-6-13/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyLSKKGCZFNFGJOR-UHFFFAOYSA-N
XLogP5.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine (CID 11574171) is N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine is CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cs1.
What is the InChIKey of N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is LSKKGCZFNFGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c1-3-25(4-2)20-24-18(12-26-20)17-11-23-19-16(17)9-14(10-22-19)13-5-7-15(21)8-6-13/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine?
N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 366.47 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11574171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).