N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C19H20N4OS2 — CID 7837024

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H20N4OS2/c24-18(22-17-10-11-20-23(17)15-8-4-5-9-15)13-26-19-21-16(12-25-19)14-6-2-1-3-7-14/h1-3,6-7,10-12,15H,4-5,8-9,13H2,(H,22,24)
InChIKeySCWFILGJEURDEI-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.85
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 7837024) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID7837024
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H20N4OS2/c24-18(22-17-10-11-20-23(17)15-8-4-5-9-15)13-26-19-21-16(12-25-19)14-6-2-1-3-7-14/h1-3,6-7,10-12,15H,4-5,8-9,13H2,(H,22,24)
InChIKeySCWFILGJEURDEI-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 7837024) is N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SCWFILGJEURDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c24-18(22-17-10-11-20-23(17)15-8-4-5-9-15)13-26-19-21-16(12-25-19)14-6-2-1-3-7-14/h1-3,6-7,10-12,15H,4-5,8-9,13H2,(H,22,24).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 384.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7837024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).