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

C20H23N5O2S — CID 141350268

IUPACN-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3cccc(NCC4CC4)c3)s2)n[nH]1
InChIInChI=1S/C20H23N5O2S/c1-12(23-13(2)26)17-9-18(25-24-17)19-11-22-20(28-19)27-16-5-3-4-15(8-16)21-10-14-6-7-14/h3-5,8-9,11-12,14,21H,6-7,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKZSNQZGWYGJEAU-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.34
Rot. Bonds8

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

N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide (PubChem CID 141350268) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
PubChem CID141350268
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3cccc(NCC4CC4)c3)s2)n[nH]1
InChIInChI=1S/C20H23N5O2S/c1-12(23-13(2)26)17-9-18(25-24-17)19-11-22-20(28-19)27-16-5-3-4-15(8-16)21-10-14-6-7-14/h3-5,8-9,11-12,14,21H,6-7,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKZSNQZGWYGJEAU-UHFFFAOYSA-N
XLogP4.34
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide (CID 141350268) is N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3cccc(NCC4CC4)c3)s2)n[nH]1.
What is the InChIKey of N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The InChIKey is KZSNQZGWYGJEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-12(23-13(2)26)17-9-18(25-24-17)19-11-22-20(28-19)27-16-5-3-4-15(8-16)21-10-14-6-7-14/h3-5,8-9,11-12,14,21H,6-7,10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.34, 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-[3-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 141350268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).