2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide

C11H17N3O2S — CID 58719647

IUPAC2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCCC(=O)Nc1nc(C)c(C(N)=O)s1
InChIInChI=1S/C11H17N3O2S/c1-3-4-5-6-8(15)14-11-13-7(2)9(17-11)10(12)16/h3-6H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyNMECBCOALJCEAM-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.07
Rot. Bonds6

About 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide

2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 58719647) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID58719647
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCCC(=O)Nc1nc(C)c(C(N)=O)s1
InChIInChI=1S/C11H17N3O2S/c1-3-4-5-6-8(15)14-11-13-7(2)9(17-11)10(12)16/h3-6H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyNMECBCOALJCEAM-UHFFFAOYSA-N
XLogP2.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.07
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

ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 154106972
5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
CID 175592124
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
CID 114754330
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
3-[4-methyl-2-(pentanoylamino)-1,3-thiazol-5-yl]propanoic acid
CID 82058784
5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 110442604
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925

Frequently Asked Questions

What is the IUPAC name of 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 58719647) is 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide is CCCCCC(=O)Nc1nc(C)c(C(N)=O)s1.
What is the InChIKey of 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NMECBCOALJCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-4-5-6-8(15)14-11-13-7(2)9(17-11)10(12)16/h3-6H2,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide?
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58719647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).