N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide

C18H24N4O2S — CID 119676243

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCCCCCN)n2)cc1
InChIInChI=1S/C18H24N4O2S/c1-13(23)20-15-9-7-14(8-10-15)16-12-25-18(21-16)22-17(24)6-4-2-3-5-11-19/h7-10,12H,2-6,11,19H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyZPDXTKZVEFPNKD-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.62
Rot. Bonds9

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide (PubChem CID 119676243) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
PubChem CID119676243
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCCCCCN)n2)cc1
InChIInChI=1S/C18H24N4O2S/c1-13(23)20-15-9-7-14(8-10-15)16-12-25-18(21-16)22-17(24)6-4-2-3-5-11-19/h7-10,12H,2-6,11,19H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyZPDXTKZVEFPNKD-UHFFFAOYSA-N
XLogP3.62
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.62
H-Bond Donors ≤ 53
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-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119689440
N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029756
S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 3-(4-acetamidophenyl)propanethioate
CID 163270016
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119696335
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2114071

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide (CID 119676243) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CCCCCCN)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide?
The InChIKey is ZPDXTKZVEFPNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13(23)20-15-9-7-14(8-10-15)16-12-25-18(21-16)22-17(24)6-4-2-3-5-11-19/h7-10,12H,2-6,11,19H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide has a molecular weight of 360.48 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide is sourced from PubChem (CID 119676243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).