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

C21H24N4O3S — CID 141350274

IUPACN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C4CC4)[nH]n3)s2)cc1
InChIInChI=1S/C21H24N4O3S/c1-12(2)27-15-6-8-16(9-7-15)28-21-22-11-19(29-21)18-10-17(24-25-18)13(3)23-20(26)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyKZSXDTROQDZTEI-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.70
Rot. Bonds8

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

N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide (PubChem CID 141350274) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide
PubChem CID141350274
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C4CC4)[nH]n3)s2)cc1
InChIInChI=1S/C21H24N4O3S/c1-12(2)27-15-6-8-16(9-7-15)28-21-22-11-19(29-21)18-10-17(24-25-18)13(3)23-20(26)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyKZSXDTROQDZTEI-UHFFFAOYSA-N
XLogP4.70
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]cyclopropanecarboxamide?
The IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide (CID 141350274) is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide is CC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C4CC4)[nH]n3)s2)cc1.
What is the InChIKey of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is KZSXDTROQDZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-12(2)27-15-6-8-16(9-7-15)28-21-22-11-19(29-21)18-10-17(24-25-18)13(3)23-20(26)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide?
N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 412.52 g/mol, XLogP of 4.70, 8 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]cyclopropanecarboxamide is sourced from PubChem (CID 141350274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).