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

C15H19N5OS — CID 129251536

IUPACN-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3cn[nH]c3)CC2)s1
InChIInChI=1S/C15H19N5OS/c1-11(21)19-15-16-9-14(22-15)10-20-4-2-12(3-5-20)6-13-7-17-18-8-13/h6-9H,2-5,10H2,1H3,(H,17,18)(H,16,19,21)
InChIKeyTXHCBBKRJBCTMH-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.50
Rot. Bonds4

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

N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251536) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251536
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3cn[nH]c3)CC2)s1
InChIInChI=1S/C15H19N5OS/c1-11(21)19-15-16-9-14(22-15)10-20-4-2-12(3-5-20)6-13-7-17-18-8-13/h6-9H,2-5,10H2,1H3,(H,17,18)(H,16,19,21)
InChIKeyTXHCBBKRJBCTMH-UHFFFAOYSA-N
XLogP2.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251536) is N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3cn[nH]c3)CC2)s1.
What is the InChIKey of N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is TXHCBBKRJBCTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(21)19-15-16-9-14(22-15)10-20-4-2-12(3-5-20)6-13-7-17-18-8-13/h6-9H,2-5,10H2,1H3,(H,17,18)(H,16,19,21).
What are the key properties of N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 317.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).