7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride

C17H32Cl2N4OS — CID 119831153

IUPAC7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride
SMILESCC1CCCN(Cc2csc(NC(=O)CCCCCCN)n2)C1.Cl.Cl
InChIInChI=1S/C17H30N4OS.2ClH/c1-14-7-6-10-21(11-14)12-15-13-23-17(19-15)20-16(22)8-4-2-3-5-9-18;;/h13-14H,2-12,18H2,1H3,(H,19,20,22);2*1H
InChIKeyHFEGNFUFFUJPIV-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.07
Rot. Bonds9

About 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride

7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride (PubChem CID 119831153) has the molecular formula C17H32Cl2N4OS and a molecular weight of 411.44 g/mol. Its IUPAC name is 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride
PubChem CID119831153
Molecular FormulaC17H32Cl2N4OS
Molecular Weight411.44 g/mol
Exact Mass410.17
IUPAC Name7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride
SMILESCC1CCCN(Cc2csc(NC(=O)CCCCCCN)n2)C1.Cl.Cl
InChIInChI=1S/C17H30N4OS.2ClH/c1-14-7-6-10-21(11-14)12-15-13-23-17(19-15)20-16(22)8-4-2-3-5-9-18;;/h13-14H,2-12,18H2,1H3,(H,19,20,22);2*1H
InChIKeyHFEGNFUFFUJPIV-UHFFFAOYSA-N
XLogP4.07
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-pyrazol-1-ylbutanamide
CID 94810560
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 51298761
3-(2-aminophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 120612022
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 46680128
2-(2-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46680251
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119831162
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24586612
2-(2,6-dichlorophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46679995
(2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120797004
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 46680102

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride (CID 119831153) is 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride is CC1CCCN(Cc2csc(NC(=O)CCCCCCN)n2)C1.Cl.Cl.
What is the InChIKey of 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride?
The InChIKey is HFEGNFUFFUJPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS.2ClH/c1-14-7-6-10-21(11-14)12-15-13-23-17(19-15)20-16(22)8-4-2-3-5-9-18;;/h13-14H,2-12,18H2,1H3,(H,19,20,22);2*1H.
What are the key properties of 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride?
7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride has a molecular weight of 411.44 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride is sourced from PubChem (CID 119831153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).