5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide

C18H23N3O3S — CID 175592124

IUPAC5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
SMILESCCCCCC(=O)Nc1nc(C)c(-c2ccc(OC)c(C(N)=O)c2)s1
InChIInChI=1S/C18H23N3O3S/c1-4-5-6-7-15(22)21-18-20-11(2)16(25-18)12-8-9-14(24-3)13(10-12)17(19)23/h8-10H,4-7H2,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeyPPFXITJIQNVRKJ-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.74
Rot. Bonds8

About 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide

5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide (PubChem CID 175592124) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
PubChem CID175592124
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
SMILESCCCCCC(=O)Nc1nc(C)c(-c2ccc(OC)c(C(N)=O)c2)s1
InChIInChI=1S/C18H23N3O3S/c1-4-5-6-7-15(22)21-18-20-11(2)16(25-18)12-8-9-14(24-3)13(10-12)17(19)23/h8-10H,4-7H2,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeyPPFXITJIQNVRKJ-UHFFFAOYSA-N
XLogP3.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.74
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

tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide
CID 175538036
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 58719647
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 175592107
N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]heptanamide
CID 11958609
[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775314
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 94774414
N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82160641
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 82160764

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide?
The IUPAC name of 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide (CID 175592124) is 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide is CCCCCC(=O)Nc1nc(C)c(-c2ccc(OC)c(C(N)=O)c2)s1.
What is the InChIKey of 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide?
The InChIKey is PPFXITJIQNVRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-5-6-7-15(22)21-18-20-11(2)16(25-18)12-8-9-14(24-3)13(10-12)17(19)23/h8-10H,4-7H2,1-3H3,(H2,19,23)(H,20,21,22).
What are the key properties of 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide?
5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide has a molecular weight of 361.47 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 175592124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).