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

C19H17FN4OS — CID 26354510

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccoc2)sc1-c1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C19H17FN4OS/c1-13-18(26-19(22-13)21-10-14-7-9-25-12-14)17-6-8-24(23-17)11-15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,22)
InChIKeyXQWFWJOXJLZUAB-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.71
Rot. Bonds6

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

5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 26354510) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID26354510
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccoc2)sc1-c1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C19H17FN4OS/c1-13-18(26-19(22-13)21-10-14-7-9-25-12-14)17-6-8-24(23-17)11-15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,22)
InChIKeyXQWFWJOXJLZUAB-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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Related Compounds

N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 42210415
5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 26338246
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 126467628
N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26336699
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 42501251
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 56851838
N-(1,3-benzodioxol-4-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 56918469
5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 42449375
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969741
4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 56860448
1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 52751123
N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 26321861

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine (CID 26354510) is 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(NCc2ccoc2)sc1-c1ccn(Cc2ccccc2F)n1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XQWFWJOXJLZUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c1-13-18(26-19(22-13)21-10-14-7-9-25-12-14)17-6-8-24(23-17)11-15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,22).
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-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-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 26354510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).