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

C17H25N5OS — CID 30184852

IUPACN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C17H25N5OS/c1-12-15(13(2)21(3)20-12)9-16(23)19-17-18-14(11-24-17)10-22-7-5-4-6-8-22/h11H,4-10H2,1-3H3,(H,18,19,23)
InChIKeyRTVZPWLWVGLYJJ-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.66
Rot. Bonds5

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

N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 30184852) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID30184852
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C17H25N5OS/c1-12-15(13(2)21(3)20-12)9-16(23)19-17-18-14(11-24-17)10-22-7-5-4-6-8-22/h11H,4-10H2,1-3H3,(H,18,19,23)
InChIKeyRTVZPWLWVGLYJJ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24581304
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24611851
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53555391
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70779660
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide
CID 25854624
N-(5-methyl-3-thia-1,5-diaza-4,5,6,7-tetrahydro-2-indenyl)-1-methyl-3-methyl-5-pyrazolecarboxamide
CID 30607782
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
2-[3,5-Dimethyl-1-(4-methyl-1,3-thiazol-2-YL)-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)ethan-1-one
CID 53003388
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-propylacetamide
CID 46269571

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 30184852) is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is RTVZPWLWVGLYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-15(13(2)21(3)20-12)9-16(23)19-17-18-14(11-24-17)10-22-7-5-4-6-8-22/h11H,4-10H2,1-3H3,(H,18,19,23).
What are the key properties of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 347.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 30184852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).