N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide

C18H18N4OS — CID 22176890

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1sc(-c2ccccc2)nc1CC(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H18N4OS/c1-11-14(19-18(24-11)13-5-3-2-4-6-13)10-17(23)20-16-9-15(21-22-16)12-7-8-12/h2-6,9,12H,7-8,10H2,1H3,(H2,20,21,22,23)
InChIKeyHQPOGKSUZJXAIL-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.90
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 22176890) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID22176890
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1sc(-c2ccccc2)nc1CC(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H18N4OS/c1-11-14(19-18(24-11)13-5-3-2-4-6-13)10-17(23)20-16-9-15(21-22-16)12-7-8-12/h2-6,9,12H,7-8,10H2,1H3,(H2,20,21,22,23)
InChIKeyHQPOGKSUZJXAIL-UHFFFAOYSA-N
XLogP3.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide (CID 22176890) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1sc(-c2ccccc2)nc1CC(=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HQPOGKSUZJXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11-14(19-18(24-11)13-5-3-2-4-6-13)10-17(23)20-16-9-15(21-22-16)12-7-8-12/h2-6,9,12H,7-8,10H2,1H3,(H2,20,21,22,23).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 338.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 22176890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).