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

C19H19FN6S — CID 42330695

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cnn(C)c2C)sc1-c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H19FN6S/c1-12-18(17-7-8-26(24-17)16-6-4-5-15(20)9-16)27-19(23-12)21-10-14-11-22-25(3)13(14)2/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyWGJLWMGHRFCHGU-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.10
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 42330695) has the molecular formula C19H19FN6S and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID42330695
Molecular FormulaC19H19FN6S
Molecular Weight382.47 g/mol
Exact Mass382.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cnn(C)c2C)sc1-c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H19FN6S/c1-12-18(17-7-8-26(24-17)16-6-4-5-15(20)9-16)27-19(23-12)21-10-14-11-22-25(3)13(14)2/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyWGJLWMGHRFCHGU-UHFFFAOYSA-N
XLogP4.10
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 42330695) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(NCc2cnn(C)c2C)sc1-c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is WGJLWMGHRFCHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6S/c1-12-18(17-7-8-26(24-17)16-6-4-5-15(20)9-16)27-19(23-12)21-10-14-11-22-25(3)13(14)2/h4-9,11H,10H2,1-3H3,(H,21,23).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 382.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42330695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).