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

C20H22N4OS — CID 129251772

IUPACN-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc4[nH]ccc4c3)CC2)s1
InChIInChI=1S/C20H22N4OS/c1-14(25)23-20-22-12-18(26-20)13-24-8-5-15(6-9-24)10-16-2-3-19-17(11-16)4-7-21-19/h2-4,7,10-12,21H,5-6,8-9,13H2,1H3,(H,22,23,25)
InChIKeyXEBHSBZLMGEMGD-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.26
Rot. Bonds4

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

N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251772) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251772
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc4[nH]ccc4c3)CC2)s1
InChIInChI=1S/C20H22N4OS/c1-14(25)23-20-22-12-18(26-20)13-24-8-5-15(6-9-24)10-16-2-3-19-17(11-16)4-7-21-19/h2-4,7,10-12,21H,5-6,8-9,13H2,1H3,(H,22,23,25)
InChIKeyXEBHSBZLMGEMGD-UHFFFAOYSA-N
XLogP4.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251772) is N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc4[nH]ccc4c3)CC2)s1.
What is the InChIKey of N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XEBHSBZLMGEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14(25)23-20-22-12-18(26-20)13-24-8-5-15(6-9-24)10-16-2-3-19-17(11-16)4-7-21-19/h2-4,7,10-12,21H,5-6,8-9,13H2,1H3,(H,22,23,25).
What are the key properties of N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(1H-indol-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).