N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide

C19H21N5O2S — CID 155916901

IUPACN-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide
SMILESCNC(=O)CCCn1cc(NC(=O)Cc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C19H21N5O2S/c1-20-17(25)8-5-9-24-12-16(11-21-24)22-18(26)10-15-13-27-19(23-15)14-6-3-2-4-7-14/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,20,25)(H,22,26)
InChIKeyJMCXSDTZWJVJHC-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.71
Rot. Bonds8

About N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide

N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide (PubChem CID 155916901) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide
PubChem CID155916901
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide
SMILESCNC(=O)CCCn1cc(NC(=O)Cc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C19H21N5O2S/c1-20-17(25)8-5-9-24-12-16(11-21-24)22-18(26)10-15-13-27-19(23-15)14-6-3-2-4-7-14/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,20,25)(H,22,26)
InChIKeyJMCXSDTZWJVJHC-UHFFFAOYSA-N
XLogP2.71
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
N-(1-benzylpyrazol-4-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 55948097
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155917637
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2579290
2-(2-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961
N-(5-phenyl-2-pyridinyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55952825
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 17455112
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55835660

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide?
The IUPAC name of N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide (CID 155916901) is N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide?
The canonical SMILES for N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide is CNC(=O)CCCn1cc(NC(=O)Cc2csc(-c3ccccc3)n2)cn1.
What is the InChIKey of N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide?
The InChIKey is JMCXSDTZWJVJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-20-17(25)8-5-9-24-12-16(11-21-24)22-18(26)10-15-13-27-19(23-15)14-6-3-2-4-7-14/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,20,25)(H,22,26).
What are the key properties of N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide?
N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide has a molecular weight of 383.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide is sourced from PubChem (CID 155916901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).