2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide

C20H19N5O2S — CID 155315194

IUPAC2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)cn2)cc1
InChIInChI=1S/C20H19N5O2S/c21-16(26)7-12-1-5-15(6-2-12)25-10-14(8-23-25)19(27)18-20(13-3-4-13)28-17-9-22-11-24(17)18/h1-2,5-6,8-11,13,19,27H,3-4,7H2,(H2,21,26)
InChIKeyZLUWNGMKOLSYGA-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide

2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide (PubChem CID 155315194) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide
PubChem CID155315194
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)cn2)cc1
InChIInChI=1S/C20H19N5O2S/c21-16(26)7-12-1-5-15(6-2-12)25-10-14(8-23-25)19(27)18-20(13-3-4-13)28-17-9-22-11-24(17)18/h1-2,5-6,8-11,13,19,27H,3-4,7H2,(H2,21,26)
InChIKeyZLUWNGMKOLSYGA-UHFFFAOYSA-N
XLogP2.57
TPSA98.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide (CID 155315194) is 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide is NC(=O)Cc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)cn2)cc1.
What is the InChIKey of 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide?
The InChIKey is ZLUWNGMKOLSYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c21-16(26)7-12-1-5-15(6-2-12)25-10-14(8-23-25)19(27)18-20(13-3-4-13)28-17-9-22-11-24(17)18/h1-2,5-6,8-11,13,19,27H,3-4,7H2,(H2,21,26).
What are the key properties of 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide?
2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 155315194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).