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

C16H18N4OS — CID 141350267

IUPACN-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline
SMILESCC(C)CNc1ccc(Oc2ncc(-c3ccn[nH]3)s2)cc1
InChIInChI=1S/C16H18N4OS/c1-11(2)9-17-12-3-5-13(6-4-12)21-16-18-10-15(22-16)14-7-8-19-20-14/h3-8,10-11,17H,9H2,1-2H3,(H,19,20)
InChIKeyBVRZMAVMUJMOQX-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.39
Rot. Bonds6

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

N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline (PubChem CID 141350267) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline
PubChem CID141350267
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline
SMILESCC(C)CNc1ccc(Oc2ncc(-c3ccn[nH]3)s2)cc1
InChIInChI=1S/C16H18N4OS/c1-11(2)9-17-12-3-5-13(6-4-12)21-16-18-10-15(22-16)14-7-8-19-20-14/h3-8,10-11,17H,9H2,1-2H3,(H,19,20)
InChIKeyBVRZMAVMUJMOQX-UHFFFAOYSA-N
XLogP4.39
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
CID 141350287
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-(2,2-dimethoxyethyl)-4-(1H-pyrazol-5-yl)aniline
CID 63697596
7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785048
N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
CID 23649034
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
4-(2-methylpropylamino)phenol
CID 15847203
tert-butyl N-[4-[[5-[5-(1-acetamidoethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-yl]oxy]phenyl]carbamate
CID 141350292
N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 63049372
N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
CID 61324337

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The IUPAC name of N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline (CID 141350267) is N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline.
What is the SMILES notation for N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The canonical SMILES for N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline is CC(C)CNc1ccc(Oc2ncc(-c3ccn[nH]3)s2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The InChIKey is BVRZMAVMUJMOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11(2)9-17-12-3-5-13(6-4-12)21-16-18-10-15(22-16)14-7-8-19-20-14/h3-8,10-11,17H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline has a molecular weight of 314.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline is sourced from PubChem (CID 141350267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).