methanamine;N-(1,3-thiazol-2-yl)hexanamide

C10H19N3OS — CID 143608752

IUPACmethanamine;N-(1,3-thiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1nccs1.CN
InChIInChI=1S/C9H14N2OS.CH5N/c1-2-3-4-5-8(12)11-9-10-6-7-13-9;1-2/h6-7H,2-5H2,1H3,(H,10,11,12);2H2,1H3
InChIKeyKSWFEKPWBKNYQN-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.24
Rot. Bonds5

About methanamine;N-(1,3-thiazol-2-yl)hexanamide

methanamine;N-(1,3-thiazol-2-yl)hexanamide (PubChem CID 143608752) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is methanamine;N-(1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Namemethanamine;N-(1,3-thiazol-2-yl)hexanamide
PubChem CID143608752
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Namemethanamine;N-(1,3-thiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1nccs1.CN
InChIInChI=1S/C9H14N2OS.CH5N/c1-2-3-4-5-8(12)11-9-10-6-7-13-9;1-2/h6-7H,2-5H2,1H3,(H,10,11,12);2H2,1H3
InChIKeyKSWFEKPWBKNYQN-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 4733269
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603

Frequently Asked Questions

What is the IUPAC name of methanamine;N-(1,3-thiazol-2-yl)hexanamide?
The IUPAC name of methanamine;N-(1,3-thiazol-2-yl)hexanamide (CID 143608752) is methanamine;N-(1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for methanamine;N-(1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for methanamine;N-(1,3-thiazol-2-yl)hexanamide is CCCCCC(=O)Nc1nccs1.CN.
What is the InChIKey of methanamine;N-(1,3-thiazol-2-yl)hexanamide?
The InChIKey is KSWFEKPWBKNYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.CH5N/c1-2-3-4-5-8(12)11-9-10-6-7-13-9;1-2/h6-7H,2-5H2,1H3,(H,10,11,12);2H2,1H3.
What are the key properties of methanamine;N-(1,3-thiazol-2-yl)hexanamide?
methanamine;N-(1,3-thiazol-2-yl)hexanamide has a molecular weight of 229.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-(1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 143608752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).