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

C19H22N4O3S — CID 141350264

IUPACN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)n[nH]1
InChIInChI=1S/C19H22N4O3S/c1-11(2)25-14-5-7-15(8-6-14)26-19-20-10-18(27-19)17-9-16(22-23-17)12(3)21-13(4)24/h5-12H,1-4H3,(H,21,24)(H,22,23)
InChIKeyPVNDWPBWXHGCJW-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.31
Rot. Bonds7

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

N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide (PubChem CID 141350264) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
PubChem CID141350264
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)n[nH]1
InChIInChI=1S/C19H22N4O3S/c1-11(2)25-14-5-7-15(8-6-14)26-19-20-10-18(27-19)17-9-16(22-23-17)12(3)21-13(4)24/h5-12H,1-4H3,(H,21,24)(H,22,23)
InChIKeyPVNDWPBWXHGCJW-UHFFFAOYSA-N
XLogP4.31
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 16110753
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CID 166835797
CID 56759770
CID 56759770
CID 95230174
CID 95230174
CID 95230175
CID 95230175
CID 154876349
CID 154876349
CID 154876359
CID 154876359
CID 45177207
CID 45177207
CID 71292771
CID 71292771
CID 141350266
CID 141350266
CID 141350267
CID 141350267

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide (CID 141350264) is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)n[nH]1.
What is the InChIKey of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The InChIKey is PVNDWPBWXHGCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11(2)25-14-5-7-15(8-6-14)26-19-20-10-18(27-19)17-9-16(22-23-17)12(3)21-13(4)24/h5-12H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 141350264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).