N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine

C15H11FN4S — CID 153389446

IUPACN-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(Nc3c[nH]c4ncc(F)cc34)ccc2s1
InChIInChI=1S/C15H11FN4S/c1-8-19-12-5-10(2-3-14(12)21-8)20-13-7-18-15-11(13)4-9(16)6-17-15/h2-7,20H,1H3,(H,17,18)
InChIKeyPPCSTQFBAAHANE-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.36
Rot. Bonds2

About N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine

N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine (PubChem CID 153389446) has the molecular formula C15H11FN4S and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine
PubChem CID153389446
Molecular FormulaC15H11FN4S
Molecular Weight298.35 g/mol
Exact Mass298.07
IUPAC NameN-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(Nc3c[nH]c4ncc(F)cc34)ccc2s1
InChIInChI=1S/C15H11FN4S/c1-8-19-12-5-10(2-3-14(12)21-8)20-13-7-18-15-11(13)4-9(16)6-17-15/h2-7,20H,1H3,(H,17,18)
InChIKeyPPCSTQFBAAHANE-UHFFFAOYSA-N
XLogP4.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine?
The IUPAC name of N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine (CID 153389446) is N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine is Cc1nc2cc(Nc3c[nH]c4ncc(F)cc34)ccc2s1.
What is the InChIKey of N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine?
The InChIKey is PPCSTQFBAAHANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4S/c1-8-19-12-5-10(2-3-14(12)21-8)20-13-7-18-15-11(13)4-9(16)6-17-15/h2-7,20H,1H3,(H,17,18).
What are the key properties of N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine?
N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine has a molecular weight of 298.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 153389446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).