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

C18H25N5OS — CID 139500172

IUPACN-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3cc(C4CC4)cn3)C2)s1
InChIInChI=1S/C18H25N5OS/c1-13(24)21-18-19-8-17(25-18)12-22-6-2-3-14(9-22)10-23-11-16(7-20-23)15-4-5-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,19,21,24)
InChIKeyIDROLCJTKYJEHR-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.09
Rot. Bonds6

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

N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139500172) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139500172
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3cc(C4CC4)cn3)C2)s1
InChIInChI=1S/C18H25N5OS/c1-13(24)21-18-19-8-17(25-18)12-22-6-2-3-14(9-22)10-23-11-16(7-20-23)15-4-5-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,19,21,24)
InChIKeyIDROLCJTKYJEHR-UHFFFAOYSA-N
XLogP3.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47061468
3-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47298958
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 75505668
1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 84596472
N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500170
N-[5-[[3-[(4-fluoropyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500267
N-[5-[[(3S)-3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 169715132
2-[4-(1-Ethylpyrazol-4-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 121534041
2-[4-(1-Methylpyrazol-4-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133523072
4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine
CID 126697247
N-[5-[[3-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135515
N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135549

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139500172) is N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cn3cc(C4CC4)cn3)C2)s1.
What is the InChIKey of N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IDROLCJTKYJEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13(24)21-18-19-8-17(25-18)12-22-6-2-3-14(9-22)10-23-11-16(7-20-23)15-4-5-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,19,21,24).
What are the key properties of N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).