N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide

C20H25N5O2S — CID 141350287

IUPACN-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NCC(C)C)cc3)s2)n[nH]1
InChIInChI=1S/C20H25N5O2S/c1-12(2)10-21-15-5-7-16(8-6-15)27-20-22-11-19(28-20)18-9-17(24-25-18)13(3)23-14(4)26/h5-9,11-13,21H,10H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyOLIPETUUKGUNDM-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.59
Rot. Bonds8

About N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide

N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide (PubChem CID 141350287) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
PubChem CID141350287
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NCC(C)C)cc3)s2)n[nH]1
InChIInChI=1S/C20H25N5O2S/c1-12(2)10-21-15-5-7-16(8-6-15)27-20-22-11-19(28-20)18-9-17(24-25-18)13(3)23-14(4)26/h5-9,11-13,21H,10H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyOLIPETUUKGUNDM-UHFFFAOYSA-N
XLogP4.59
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[[5-[5-(1-acetamidoethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-yl]oxy]phenyl]carbamate
CID 141350292
N-[1-[3-[2-[3-chloro-4-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
CID 141350277
2-methyl-N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]propanamide
CID 141350280
N-[1-[3-[2-[2-chloro-4-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
CID 141350284
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-[[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]oxy]aniline
CID 141350267
N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
CID 23648638
N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
CID 57411276
5-(1-acetamidoethyl)-1H-pyrazole-3-carboxylic acid
CID 167718756
N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 164991736
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
4-(2-methylpropylamino)phenol
CID 15847203

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide (CID 141350287) is N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NCC(C)C)cc3)s2)n[nH]1.
What is the InChIKey of N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The InChIKey is OLIPETUUKGUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-12(2)10-21-15-5-7-16(8-6-15)27-20-22-11-19(28-20)18-9-17(24-25-18)13(3)23-14(4)26/h5-9,11-13,21H,10H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 141350287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).