N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline

C15H16N4OS — CID 141350279

IUPACN-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline
SMILESCC(C)Nc1ccc(Oc2ncc(-c3ccn[nH]3)s2)cc1
InChIInChI=1S/C15H16N4OS/c1-10(2)18-11-3-5-12(6-4-11)20-15-16-9-14(21-15)13-7-8-17-19-13/h3-10,18H,1-2H3,(H,17,19)
InChIKeyRYPLXHGVYSOZCJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP4.15
Rot. Bonds5

About N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline

N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline (PubChem CID 141350279) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline.

Molecular Properties

Compound NameN-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline
PubChem CID141350279
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline
SMILESCC(C)Nc1ccc(Oc2ncc(-c3ccn[nH]3)s2)cc1
InChIInChI=1S/C15H16N4OS/c1-10(2)18-11-3-5-12(6-4-11)20-15-16-9-14(21-15)13-7-8-17-19-13/h3-10,18H,1-2H3,(H,17,19)
InChIKeyRYPLXHGVYSOZCJ-UHFFFAOYSA-N
XLogP4.15
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(1-Cyclopropylpyrazol-4-yl)-1,3-thiazol-2-yl]oxy]-2-fluoroaniline
CID 157047092
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133522866
1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
CID 154876349
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 168581266
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(1,5-dimethylpyrazol-4-yl)methoxy]-3-fluoroaniline
CID 168581502
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline
CID 168582086
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]-3-fluoroaniline
CID 168582678
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-[(2-methylpyrazol-3-yl)methoxy]aniline
CID 168583285
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 168583714
4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole
CID 50940355
2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole
CID 50940475
6-methoxy-1,3-benzothiazole;1H-pyrazole
CID 66665168

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The IUPAC name of N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline (CID 141350279) is N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline.
What is the SMILES notation for N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The canonical SMILES for N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline is CC(C)Nc1ccc(Oc2ncc(-c3ccn[nH]3)s2)cc1.
What is the InChIKey of N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The InChIKey is RYPLXHGVYSOZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10(2)18-11-3-5-12(6-4-11)20-15-16-9-14(21-15)13-7-8-17-19-13/h3-10,18H,1-2H3,(H,17,19).
What are the key properties of N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline has a molecular weight of 300.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline is sourced from PubChem (CID 141350279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).