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

C21H19FN4S — CID 42210415

IUPACN-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C21H19FN4S/c1-15-20(27-21(24-15)23-13-16-7-3-2-4-8-16)19-11-12-26(25-19)14-17-9-5-6-10-18(17)22/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyRUCGCUVWUKZSIL-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.11
Rot. Bonds6

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

N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 42210415) has the molecular formula C21H19FN4S and a molecular weight of 378.48 g/mol. Its IUPAC name is N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID42210415
Molecular FormulaC21H19FN4S
Molecular Weight378.48 g/mol
Exact Mass378.13
IUPAC NameN-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C21H19FN4S/c1-15-20(27-21(24-15)23-13-16-7-3-2-4-8-16)19-11-12-26(25-19)14-17-9-5-6-10-18(17)22/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyRUCGCUVWUKZSIL-UHFFFAOYSA-N
XLogP5.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 26354510
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
5-(1-benzylpyrazol-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 42472506
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
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26338269
N-(1,3-benzodioxol-4-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 56918469
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 56851838
2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol
CID 126463922
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 42210415) is N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccccc2F)n1.
What is the InChIKey of N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RUCGCUVWUKZSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4S/c1-15-20(27-21(24-15)23-13-16-7-3-2-4-8-16)19-11-12-26(25-19)14-17-9-5-6-10-18(17)22/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 378.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42210415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).