N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

C20H21FN6S — CID 42365073

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1CNc1nc(C)c(-c2ccn(Cc3cccc(F)c3)n2)s1
InChIInChI=1S/C20H21FN6S/c1-13-16(12-26(3)24-13)10-22-20-23-14(2)19(28-20)18-7-8-27(25-18)11-15-5-4-6-17(21)9-15/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyONQURLMEPQQCCB-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.16
Rot. Bonds6

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 42365073) has the molecular formula C20H21FN6S and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID42365073
Molecular FormulaC20H21FN6S
Molecular Weight396.50 g/mol
Exact Mass396.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1CNc1nc(C)c(-c2ccn(Cc3cccc(F)c3)n2)s1
InChIInChI=1S/C20H21FN6S/c1-13-16(12-26(3)24-13)10-22-20-23-14(2)19(28-20)18-7-8-27(25-18)11-15-5-4-6-17(21)9-15/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyONQURLMEPQQCCB-UHFFFAOYSA-N
XLogP4.16
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 42365073) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nn(C)cc1CNc1nc(C)c(-c2ccn(Cc3cccc(F)c3)n2)s1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ONQURLMEPQQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6S/c1-13-16(12-26(3)24-13)10-22-20-23-14(2)19(28-20)18-7-8-27(25-18)11-15-5-4-6-17(21)9-15/h4-9,12H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 396.50 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42365073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).