N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C19H22N4OS2 — CID 2125151

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1
InChIInChI=1S/C19H22N4OS2/c1-13-11-25-18(20-13)26-12-17(24)21-16-10-15(19(2,3)4)22-23(16)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3,(H,21,24)
InChIKeyDJPXUMSFTXGZJA-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.67
Rot. Bonds5

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2125151) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2125151
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1
InChIInChI=1S/C19H22N4OS2/c1-13-11-25-18(20-13)26-12-17(24)21-16-10-15(19(2,3)4)22-23(16)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3,(H,21,24)
InChIKeyDJPXUMSFTXGZJA-UHFFFAOYSA-N
XLogP4.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(1,3-Thiazol-2-Yl)urea
CID 51035417
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2431643
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 2113128
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2373971
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532107
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2999183
2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 2080443
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2090255
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 2099679
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 3934046
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2125151) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is DJPXUMSFTXGZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-13-11-25-18(20-13)26-12-17(24)21-16-10-15(19(2,3)4)22-23(16)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3,(H,21,24).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 386.55 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2125151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).