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

C20H24FN5OS — CID 28730317

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccc(F)cc2)sc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C20H24FN5OS/c1-15-19(28-20(23-15)22-14-16-2-4-17(21)5-3-16)18-6-7-26(24-18)9-8-25-10-12-27-13-11-25/h2-7H,8-14H2,1H3,(H,22,23)
InChIKeyILCMUXZXRGJYBB-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.40
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 28730317) has the molecular formula C20H24FN5OS and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID28730317
Molecular FormulaC20H24FN5OS
Molecular Weight401.51 g/mol
Exact Mass401.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccc(F)cc2)sc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C20H24FN5OS/c1-15-19(28-20(23-15)22-14-16-2-4-17(21)5-3-16)18-6-7-26(24-18)9-8-25-10-12-27-13-11-25/h2-7H,8-14H2,1H3,(H,22,23)
InChIKeyILCMUXZXRGJYBB-UHFFFAOYSA-N
XLogP3.40
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 28730317) is N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2ccc(F)cc2)sc1-c1ccn(CCN2CCOCC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is ILCMUXZXRGJYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5OS/c1-15-19(28-20(23-15)22-14-16-2-4-17(21)5-3-16)18-6-7-26(24-18)9-8-25-10-12-27-13-11-25/h2-7H,8-14H2,1H3,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 401.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28730317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).