N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H21N5OS — CID 137362112

IUPACN-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(N)nc3)CC2)s1
InChIInChI=1S/C17H21N5OS/c1-12(23)21-17-20-10-15(24-17)11-22-6-4-13(5-7-22)8-14-2-3-16(18)19-9-14/h2-3,8-10H,4-7,11H2,1H3,(H2,18,19)(H,20,21,23)
InChIKeyHMTSUIVNXVFWHJ-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.76
Rot. Bonds4

About N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 137362112) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID137362112
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(N)nc3)CC2)s1
InChIInChI=1S/C17H21N5OS/c1-12(23)21-17-20-10-15(24-17)11-22-6-4-13(5-7-22)8-14-2-3-16(18)19-9-14/h2-3,8-10H,4-7,11H2,1H3,(H2,18,19)(H,20,21,23)
InChIKeyHMTSUIVNXVFWHJ-UHFFFAOYSA-N
XLogP2.76
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 137362112) is N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(N)nc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HMTSUIVNXVFWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12(23)21-17-20-10-15(24-17)11-22-6-4-13(5-7-22)8-14-2-3-16(18)19-9-14/h2-3,8-10H,4-7,11H2,1H3,(H2,18,19)(H,20,21,23).
What are the key properties of N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 343.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(6-amino-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 137362112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).