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

C18H27N5OS — CID 139500271

IUPACN-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3cc(C(C)C)cn3)C2)s1
InChIInChI=1S/C18H27N5OS/c1-13(2)16-7-20-23(11-16)10-15-5-4-6-22(9-15)12-17-8-19-18(25-17)21-14(3)24/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,19,21,24)
InChIKeyNTLNXTUMSHZDDA-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.33
Rot. Bonds6

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

N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139500271) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139500271
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC NameN-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3cc(C(C)C)cn3)C2)s1
InChIInChI=1S/C18H27N5OS/c1-13(2)16-7-20-23(11-16)10-15-5-4-6-22(9-15)12-17-8-19-18(25-17)21-14(3)24/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,19,21,24)
InChIKeyNTLNXTUMSHZDDA-UHFFFAOYSA-N
XLogP3.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]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

US10913733, Example 8
CID 129251536
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
1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 84596472
2,2,2-trifluoro-N-[[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methyl]acetamide
CID 135323372
N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500168
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
3-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}-N-1,3-thiazol-2-ylpropanamide
CID 50956699
N-[5-[[3-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135515

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139500271) is N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cn3cc(C(C)C)cn3)C2)s1.
What is the InChIKey of N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NTLNXTUMSHZDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-13(2)16-7-20-23(11-16)10-15-5-4-6-22(9-15)12-17-8-19-18(25-17)21-14(3)24/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,19,21,24).
What are the key properties of N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 361.52 g/mol, XLogP of 3.33, 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-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).