N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide

C12H20N2O2S — CID 114753182

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
SMILESCCCCCCC(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-7-11(16)14-12-13-10(8-17-12)9(2)15/h8-9,15H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyKUZDBUQCMQJNRS-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.11
Rot. Bonds7

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide (PubChem CID 114753182) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
PubChem CID114753182
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
SMILESCCCCCCC(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-7-11(16)14-12-13-10(8-17-12)9(2)15/h8-9,15H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyKUZDBUQCMQJNRS-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.11
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-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
CID 55555526
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-propan-2-yloxyacetamide
CID 112603240
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 54958630
4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 64542838
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide (CID 114753182) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide is CCCCCCC(=O)Nc1nc(C(C)O)cs1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide?
The InChIKey is KUZDBUQCMQJNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-5-6-7-11(16)14-12-13-10(8-17-12)9(2)15/h8-9,15H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide has a molecular weight of 256.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide is sourced from PubChem (CID 114753182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).