2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide

C19H26N4O2S — CID 155025561

IUPAC2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide
SMILESCc1ncc(CC(=O)Nc2cc(C3CCC(C4CCCCO4)C3)[nH]n2)s1
InChIInChI=1S/C19H26N4O2S/c1-12-20-11-15(26-12)9-19(24)21-18-10-16(22-23-18)13-5-6-14(8-13)17-4-2-3-7-25-17/h10-11,13-14,17H,2-9H2,1H3,(H2,21,22,23,24)
InChIKeyDLJYDPNCQOMADQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.81
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide

2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 155025561) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide
PubChem CID155025561
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide
SMILESCc1ncc(CC(=O)Nc2cc(C3CCC(C4CCCCO4)C3)[nH]n2)s1
InChIInChI=1S/C19H26N4O2S/c1-12-20-11-15(26-12)9-19(24)21-18-10-16(22-23-18)13-5-6-14(8-13)17-4-2-3-7-25-17/h10-11,13-14,17H,2-9H2,1H3,(H2,21,22,23,24)
InChIKeyDLJYDPNCQOMADQ-UHFFFAOYSA-N
XLogP3.81
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide (CID 155025561) is 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide is Cc1ncc(CC(=O)Nc2cc(C3CCC(C4CCCCO4)C3)[nH]n2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is DLJYDPNCQOMADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-12-20-11-15(26-12)9-19(24)21-18-10-16(22-23-18)13-5-6-14(8-13)17-4-2-3-7-25-17/h10-11,13-14,17H,2-9H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide?
2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)-N-[5-[3-(oxan-2-yl)cyclopentyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 155025561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).