N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine

C20H18FN5OS — CID 86658552

IUPACN-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cn2cc(-c3nc(Nc4cc(F)ccn4)sc3C)cn2)cc1
InChIInChI=1S/C20H18FN5OS/c1-13-19(25-20(28-13)24-18-9-16(21)7-8-22-18)15-10-23-26(12-15)11-14-3-5-17(27-2)6-4-14/h3-10,12H,11H2,1-2H3,(H,22,24,25)
InChIKeyBYEYVKDRVPHLFK-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.65
Rot. Bonds6

About N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine

N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 86658552) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID86658552
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC NameN-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cn2cc(-c3nc(Nc4cc(F)ccn4)sc3C)cn2)cc1
InChIInChI=1S/C20H18FN5OS/c1-13-19(25-20(28-13)24-18-9-16(21)7-8-22-18)15-10-23-26(12-15)11-14-3-5-17(27-2)6-4-14/h3-10,12H,11H2,1-2H3,(H,22,24,25)
InChIKeyBYEYVKDRVPHLFK-UHFFFAOYSA-N
XLogP4.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
methyl 4-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl ether
CID 1481752
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
N-(6-methoxy-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836635
N-isoquinolin-3-yl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 51002831
4-N-[[4-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 118733468
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474403
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2409521
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46943803
1-((2,4-dimethylthiazol-5-yl)methyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782334
N-(6-ethoxy-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 53388042

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 86658552) is N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine is COc1ccc(Cn2cc(-c3nc(Nc4cc(F)ccn4)sc3C)cn2)cc1.
What is the InChIKey of N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is BYEYVKDRVPHLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-13-19(25-20(28-13)24-18-9-16(21)7-8-22-18)15-10-23-26(12-15)11-14-3-5-17(27-2)6-4-14/h3-10,12H,11H2,1-2H3,(H,22,24,25).
What are the key properties of N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine?
N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-pyridinyl)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86658552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).