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

C19H17FN4OS — CID 42452094

IUPAC5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccco2)sc1-c1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN4OS/c1-13-18(26-19(22-13)21-11-16-3-2-10-25-16)17-8-9-24(23-17)12-14-4-6-15(20)7-5-14/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyVXBKNQNGTSQFFY-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.71
Rot. Bonds6

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

5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 42452094) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID42452094
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC Name5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccco2)sc1-c1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN4OS/c1-13-18(26-19(22-13)21-11-16-3-2-10-25-16)17-8-9-24(23-17)12-14-4-6-15(20)7-5-14/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyVXBKNQNGTSQFFY-UHFFFAOYSA-N
XLogP4.71
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine (CID 42452094) is 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(NCc2ccco2)sc1-c1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is VXBKNQNGTSQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c1-13-18(26-19(22-13)21-11-16-3-2-10-25-16)17-8-9-24(23-17)12-14-4-6-15(20)7-5-14/h2-10H,11-12H2,1H3,(H,21,22).
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 368.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42452094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).