N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide

C19H25N5O4S — CID 25030885

IUPACN-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
SMILESNCC(=O)Nc1ccccc1-c1csc(NC(=O)CCCCCCC(=O)NO)n1
InChIInChI=1S/C19H25N5O4S/c20-11-18(27)21-14-8-6-5-7-13(14)15-12-29-19(22-15)23-16(25)9-3-1-2-4-10-17(26)24-28/h5-8,12,28H,1-4,9-11,20H2,(H,21,27)(H,24,26)(H,22,23,25)
InChIKeyXRXCBYSTWFHSCC-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.49
Rot. Bonds11

About N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide

N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide (PubChem CID 25030885) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
PubChem CID25030885
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC NameN-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
SMILESNCC(=O)Nc1ccccc1-c1csc(NC(=O)CCCCCCC(=O)NO)n1
InChIInChI=1S/C19H25N5O4S/c20-11-18(27)21-14-8-6-5-7-13(14)15-12-29-19(22-15)23-16(25)9-3-1-2-4-10-17(26)24-28/h5-8,12,28H,1-4,9-11,20H2,(H,21,27)(H,24,26)(H,22,23,25)
InChIKeyXRXCBYSTWFHSCC-UHFFFAOYSA-N
XLogP2.49
TPSA146.44 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 39177703
7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
CID 119676852
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19197319
7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119689440
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
benzyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]carbamate
CID 60510936
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 90626352
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide (CID 25030885) is N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide is NCC(=O)Nc1ccccc1-c1csc(NC(=O)CCCCCCC(=O)NO)n1.
What is the InChIKey of N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The InChIKey is XRXCBYSTWFHSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c20-11-18(27)21-14-8-6-5-7-13(14)15-12-29-19(22-15)23-16(25)9-3-1-2-4-10-17(26)24-28/h5-8,12,28H,1-4,9-11,20H2,(H,21,27)(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide has a molecular weight of 419.51 g/mol, XLogP of 2.49, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 25030885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).