2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H25N5OS — CID 90495487

IUPAC2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(Cn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C17H25N5OS/c1-12-8-14(3)22(20-12)9-15-4-6-21(7-5-15)10-16(23)19-17-18-13(2)11-24-17/h8,11,15H,4-7,9-10H2,1-3H3,(H,18,19,23)
InChIKeyIKMWCBQPNHWSGH-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.62
Rot. Bonds5

About 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 90495487) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID90495487
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(Cn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C17H25N5OS/c1-12-8-14(3)22(20-12)9-15-4-6-21(7-5-15)10-16(23)19-17-18-13(2)11-24-17/h8,11,15H,4-7,9-10H2,1-3H3,(H,18,19,23)
InChIKeyIKMWCBQPNHWSGH-UHFFFAOYSA-N
XLogP2.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 72121343
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51104627
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53555391
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 53618853
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 56780570
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 56781018
N-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 71926749
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
1-[4-(4-Amino-thiazol-2-yl)-piperidin-1-yl]-2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 66956401
2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate
CID 164667807

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 90495487) is 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCC(Cn3nc(C)cc3C)CC2)n1.
What is the InChIKey of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IKMWCBQPNHWSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-8-14(3)22(20-12)9-15-4-6-21(7-5-15)10-16(23)19-17-18-13(2)11-24-17/h8,11,15H,4-7,9-10H2,1-3H3,(H,18,19,23).
What are the key properties of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 347.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90495487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).