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

C20H24FN5OS — CID 29150763

IUPACN-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cccc(F)c2)sc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C20H24FN5OS/c1-15-19(28-20(23-15)22-14-16-3-2-4-17(21)13-16)18-5-6-26(24-18)8-7-25-9-11-27-12-10-25/h2-6,13H,7-12,14H2,1H3,(H,22,23)
InChIKeyMPZYTBRCPJNCRW-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.40
Rot. Bonds7

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

N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 29150763) has the molecular formula C20H24FN5OS and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID29150763
Molecular FormulaC20H24FN5OS
Molecular Weight401.51 g/mol
Exact Mass401.17
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cccc(F)c2)sc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C20H24FN5OS/c1-15-19(28-20(23-15)22-14-16-3-2-4-17(21)13-16)18-5-6-26(24-18)8-7-25-9-11-27-12-10-25/h2-6,13H,7-12,14H2,1H3,(H,22,23)
InChIKeyMPZYTBRCPJNCRW-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-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 29150763) is N-[(3-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-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2cccc(F)c2)sc1-c1ccn(CCN2CCOCC2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is MPZYTBRCPJNCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5OS/c1-15-19(28-20(23-15)22-14-16-3-2-4-17(21)13-16)18-5-6-26(24-18)8-7-25-9-11-27-12-10-25/h2-6,13H,7-12,14H2,1H3,(H,22,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
N-[(3-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-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 29150763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).