6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine

C19H21FN6S — CID 139323979

IUPAC6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
SMILESC=C(N)Cc1cnc(-c2ccc(NCC(C)(C)c3ncccc3F)nn2)s1
InChIInChI=1S/C19H21FN6S/c1-12(21)9-13-10-23-18(27-13)15-6-7-16(26-25-15)24-11-19(2,3)17-14(20)5-4-8-22-17/h4-8,10H,1,9,11,21H2,2-3H3,(H,24,26)
InChIKeyBEQWFFGPTQGZQB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.54
Rot. Bonds7

About 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine

6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine (PubChem CID 139323979) has the molecular formula C19H21FN6S and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
PubChem CID139323979
Molecular FormulaC19H21FN6S
Molecular Weight384.48 g/mol
Exact Mass384.15
IUPAC Name6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
SMILESC=C(N)Cc1cnc(-c2ccc(NCC(C)(C)c3ncccc3F)nn2)s1
InChIInChI=1S/C19H21FN6S/c1-12(21)9-13-10-23-18(27-13)15-6-7-16(26-25-15)24-11-19(2,3)17-14(20)5-4-8-22-17/h4-8,10H,1,9,11,21H2,2-3H3,(H,24,26)
InChIKeyBEQWFFGPTQGZQB-UHFFFAOYSA-N
XLogP3.54
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine?
The IUPAC name of 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine (CID 139323979) is 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine.
What is the SMILES notation for 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine?
The canonical SMILES for 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine is C=C(N)Cc1cnc(-c2ccc(NCC(C)(C)c3ncccc3F)nn2)s1.
What is the InChIKey of 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine?
The InChIKey is BEQWFFGPTQGZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6S/c1-12(21)9-13-10-23-18(27-13)15-6-7-16(26-25-15)24-11-19(2,3)17-14(20)5-4-8-22-17/h4-8,10H,1,9,11,21H2,2-3H3,(H,24,26).
What are the key properties of 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine?
6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine has a molecular weight of 384.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine is sourced from PubChem (CID 139323979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).